 Entering Gaussian System, Link 0=g16
 Input=35_ZrEnThind2Cl2_STD_LCPBE_augccpVDZ.in
 Output=35_ZrEnThind2Cl2_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/35_ZrEnThind2Cl2_STD/Gau-15554.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/35_ZrEnThind2Cl2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15558.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=35_ZrEnThind2Cl2_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026000
 0000,3/108=0260000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1) Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=1001009,75=-5,107=260000000,108=260000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "35_ZrEnThind2Cl2_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.918209000000      1.527121000000     -0.682574000000
  C                                                 2.052734000000      0.968458000000      0.412061000000
  C                                                 2.364189000000     -0.241441000000      1.088305000000
  C                                                 3.577190000000     -1.064866000000      0.781263000000
  C                                                 4.282075000000     -0.590418000000     -0.495594000000
  C                                                 4.329790000000      0.935431000000     -0.589615000000
  C                                                 1.425242000000     -0.413216000000      2.122923000000
  C                                                 0.552885000000      0.704830000000      2.114383000000
  C                                                 0.945006000000      1.572201000000      1.068423000000
  C                                                 0.305502000000      2.879578000000      0.707900000000
  C                                                -0.228659000000      2.866811000000     -0.734154000000
  C                                                -0.880051000000      1.559894000000     -1.081878000000
  C                                                -2.024720000000      0.983630000000     -0.466414000000
  C                                                -2.339028000000     -0.221680000000     -1.155258000000
  C                                                -1.360182000000     -0.422752000000     -2.143889000000
  C                                                -0.461006000000      0.671681000000     -2.101673000000
  C                                                -2.923964000000      1.573874000000      0.582126000000
  C                                                -3.996477000000      0.575127000000      1.033762000000
  C                                                -4.616608000000     -0.165400000000     -0.152513000000
  C                                                -3.574096000000     -1.023204000000     -0.880509000000
  Zr                                               -0.005023000000     -0.523739000000      0.027195000000
  Cl                                                1.213296000000     -2.195185000000     -1.256229000000
  Cl                                               -1.343389000000     -1.980750000000      1.446553000000
  H                                                -0.277937000000      0.863268000000      2.783840000000
  H                                                 1.369460000000     -1.251612000000      2.797258000000
  H                                                 2.504590000000      1.300958000000     -1.669618000000
  H                                                 2.954314000000      2.616832000000     -0.606795000000
  H                                                 4.913581000000      1.242678000000     -1.459626000000
  H                                                 4.833706000000      1.343637000000      0.292621000000
  H                                                 3.751294000000     -0.985239000000     -1.363847000000
  H                                                 5.292611000000     -1.002096000000     -0.525206000000
  H                                                 4.261950000000     -0.975336000000      1.631792000000
  H                                                 3.315779000000     -2.120544000000      0.697471000000
  H                                                 1.021760000000      3.697458000000      0.830692000000
  H                                                -0.506727000000      3.076990000000      1.407133000000
  H                                                 0.592017000000      3.037050000000     -1.431518000000
  H                                                -0.933558000000      3.690636000000     -0.878353000000
  H                                                 0.395438000000      0.811580000000     -2.742403000000
  H                                                -1.295578000000     -1.267115000000     -2.809824000000
  H                                                -3.406189000000      2.463482000000      0.158864000000
  H                                                -2.357455000000      1.923597000000      1.446719000000
  H                                                -4.768108000000      1.104982000000      1.595817000000
  H                                                -3.546694000000     -0.153881000000      1.710871000000
  H                                                -5.437416000000     -0.798932000000      0.188491000000
  H                                                -5.045634000000      0.562275000000     -0.849812000000
  H                                                -3.330020000000     -1.893359000000     -0.267538000000
  H                                                -3.976897000000     -1.400798000000     -1.822775000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     47 NQM=       47 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          90          35          35           1           1           1           1           1           1           1
 AtmWgt=  89.9043000  34.9688527  34.9688527   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           3           3           1           1           1           1           1           1           1
 AtZEff= 192.0000000  14.2400000  14.2400000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000  -8.1650000  -8.1650000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   0.8218740   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=  40.0000000  17.0000000  17.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:05 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.503122   0.000000
     3  C    2.563350   1.420622   0.000000
     4  C    3.048848   2.568011   1.497890   0.000000
     5  C    2.525681   2.867733   2.511734   1.533730   0.000000
     6  C    1.533395   2.487856   2.839724   2.539075   1.529487
     7  C    3.723529   2.286880   1.407680   2.618316   3.879372
     8  C    3.754183   2.284064   2.286720   3.749060   4.732495
     9  C    2.638475   1.422103   2.302992   3.736974   4.273067
    10  C    3.254043   2.606285   3.758146   5.125228   5.413169
    11  C    3.420557   3.181557   4.439082   5.677945   5.688239
    12  C    3.819332   3.344081   4.298790   5.497968   5.622732
    13  C    4.977414   4.171041   4.814610   6.093803   6.500319
    14  C    5.560600   4.812535   5.210971   6.281935   6.664093
    15  C    4.923624   4.485124   4.934662   5.774640   5.880481
    16  C    3.763604   3.567327   4.357921   5.256800   5.164223
    17  C    5.977678   5.016271   5.613924   7.019089   7.600831
    18  C    7.187836   6.093782   6.413098   7.753307   8.498932
    19  C    7.740740   6.788557   7.090623   8.295740   8.915431
    20  C    6.978063   6.107264   6.304809   7.341942   7.877492
    21  Zr   3.640753   2.570824   2.611286   3.700498   4.319371
    22  Cl   4.134171   3.673756   3.261673   3.319185   3.545595
    23  Cl   5.916042   4.615371   4.110921   5.049114   6.111530
    24  H    4.761520   3.326925   3.328070   4.752896   5.801862
    25  H    4.714786   3.329375   2.220462   2.995527   4.445602
    26  H    1.093840   2.155949   3.163044   3.571332   2.848699
    27  H    1.092939   2.137300   3.375105   3.983664   3.473006
    28  H    2.160145   3.429702   3.897943   3.483143   2.165271
    29  H    2.157267   2.808706   3.040411   2.760161   2.160127
    30  H    2.733151   3.139409   2.913820   2.153636   1.091547
    31  H    3.472677   3.906194   3.428946   2.157190   1.091576
    32  H    3.663908   3.185391   2.106057   1.095587   2.162022
    33  H    3.920210   3.349429   2.142266   1.090785   2.167583
    34  H    3.255281   2.947134   4.169341   5.404849   5.547483
    35  H    4.301065   3.462213   4.399522   5.850219   6.324783
    36  H    2.872625   3.132339   4.498734   5.534742   5.258422
    37  H    4.422130   4.241858   5.495826   6.761359   6.758458
    38  H    3.334557   3.566775   4.433865   5.104980   4.703158
    39  H    5.485339   5.156503   5.444383   6.056458   6.076495
    40  H    6.448473   5.665602   6.440321   7.848834   8.298435
    41  H    5.702956   4.629533   5.206705   6.677855   7.360449
    42  H    8.027997   6.924146   7.275994   8.661163   9.442150
    43  H    7.095725   5.856633   5.944223   7.241808   8.145470
    44  H    8.716980   7.699091   7.873087   9.037988   9.745766
    45  H    8.023820   7.221090   7.701151   8.925306   9.405335
    46  H    7.135286   6.133995   6.082036   7.035335   7.726167
    47  H    7.577285   6.853052   7.073038   7.997380   8.404091
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.196798   0.000000
     8  C    4.650784   1.418135   0.000000
     9  C    3.822477   2.298799   1.414257   0.000000
    10  C    4.653831   3.754810   2.601715   1.499392   0.000000
    11  C    4.952835   4.653693   3.660483   2.510535   1.537859
    12  C    5.270173   4.413421   3.605624   2.820422   2.520001
    13  C    6.355887   4.534102   3.658181   3.394321   3.225456
    14  C    6.792054   4.995286   4.462301   4.352889   4.481372
    15  C    6.052785   5.095524   4.802515   4.428620   4.670395
    16  C    5.030667   4.752067   4.336381   3.582920   3.654592
    17  C    7.375468   5.023761   3.897631   3.899412   3.485704
    18  C    8.490695   5.617662   4.677741   5.041192   4.891186
    19  C    9.024463   6.460880   5.711372   5.953276   5.851442
    20  C    8.148146   5.863964   5.384000   5.563879   5.727655
    21  Zr   4.615218   2.539675   2.485356   2.525802   3.484588
    22  Cl   4.467400   3.826095   4.495248   4.434995   5.516803
    23  Cl   6.695898   3.252685   3.354727   4.243017   5.185291
    24  H    5.711090   2.228686   1.078675   2.222798   2.952191
    25  H    5.001762   1.077380   2.227280   3.338106   4.750174
    26  H    2.152062   4.299622   4.299207   3.162711   3.602863
    27  H    2.172404   4.355527   4.102124   2.816900   2.968781
    28  H    1.091848   5.267367   5.663788   4.716906   5.349019
    29  H    1.094945   4.249019   4.695990   3.971914   4.799604
    30  H    2.150132   4.230283   5.018390   4.509067   5.576955
    31  H    2.164529   4.723972   5.687357   5.297955   6.438882
    32  H    2.930918   2.933275   4.100368   4.220124   5.600662
    33  H    3.467534   2.919077   4.198090   4.403923   5.836360
    34  H    4.537524   4.327852   3.289913   2.139889   1.094089
    35  H    5.653775   4.052949   2.692605   2.118170   1.089777
    36  H    4.369960   5.023211   4.244313   2.918919   2.164255
    37  H    5.947887   5.604748   4.481185   3.436089   2.170088
    38  H    4.486531   5.121720   4.860510   3.924661   4.023592
    39  H    6.436249   5.697719   5.617223   5.303087   5.668589
    40  H    7.920892   5.956143   4.753018   4.533716   3.775080
    41  H    7.059913   4.497415   3.225096   3.342579   2.924225
    42  H    9.358237   6.398465   5.361156   5.756397   5.447853
    43  H    8.277550   4.995717   4.207939   4.854634   5.004722
    44  H    9.950466   7.140510   6.469472   6.865265   6.839761
    45  H    9.386454   7.187557   6.336418   6.370820   6.035811
    46  H    8.171810   5.524278   5.244148   5.663104   6.078604
    47  H    8.716633   6.762171   6.360331   6.436061   6.562383
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.501085   0.000000
    13  C    2.616083   1.421669   0.000000
    14  C    3.764275   2.303911   1.423400   0.000000
    15  C    3.753521   2.299843   2.287672   1.405689   0.000000
    16  C    2.596669   1.415805   2.283985   2.284899   1.417069
    17  C    3.266336   2.635656   1.502153   2.566061   3.723317
    18  C    4.751189   3.893303   2.511021   2.858994   4.247738
    19  C    5.365324   4.219267   2.852488   2.489184   3.825718
    20  C    5.132795   3.737756   2.568934   1.497772   2.618795
    21  Zr   3.482168   2.517388   2.568071   2.633821   2.561300
    22  Cl   5.289197   4.302687   4.605803   4.064963   3.248422
    23  Cl   5.431110   4.375363   3.593216   3.294699   3.913938
    24  H    4.048814   3.973865   3.691868   4.576210   5.206497
    25  H    5.655640   5.292689   5.212324   5.516886   5.705514
    26  H    3.285976   3.445037   4.697132   5.103296   4.258236
    27  H    3.195313   4.005643   5.241930   6.031371   5.496963
    28  H    5.441208   5.814593   7.013815   7.405223   6.527019
    29  H    5.385338   5.880734   6.909685   7.482960   6.886288
    30  H    5.574480   5.292123   6.167996   6.141543   5.201158
    31  H    6.745111   6.706373   7.582209   7.697268   6.871348
    32  H    6.365953   6.342836   6.911023   7.204759   6.794813
    33  H    6.283813   5.858045   6.285814   6.246209   5.728912
    34  H    2.168471   3.441510   4.281167   5.531594   5.612300
    35  H    2.169472   2.938729   3.193217   4.561184   5.058294
    36  H    1.090324   2.114526   3.463419   4.391659   4.035936
    37  H    1.093784   2.141109   2.947577   4.166322   4.324760
    38  H    2.940499   2.223553   3.326694   3.326253   2.228003
    39  H    4.747217   3.339227   3.330026   2.217952   1.077308
    40  H    3.325185   2.955890   2.118818   3.174247   4.221275
    41  H    3.190240   2.951068   2.157389   3.372364   4.403677
    42  H    5.398093   4.742782   3.434196   3.902419   5.285199
    43  H    5.109998   4.224625   2.889793   3.110908   4.439854
    44  H    6.435845   5.286537   3.905499   3.426206   4.712255
    45  H    5.341115   4.289660   3.074159   2.834360   4.028333
    46  H    5.700473   4.311665   3.165506   2.136498   3.092514
    47  H    5.783327   4.347997   3.366928   2.125679   2.811918
                   16         17         18         19         20
    16  C    0.000000
    17  C    3.752718   0.000000
    18  C    4.726503   1.533543   0.000000
    19  C    4.665722   2.535707   1.529768   0.000000
    20  C    3.749027   3.050703   2.529328   1.533831   0.000000
    21  Zr   2.483753   3.637052   4.260562   4.628976   3.716406
    22  Cl   3.425928   5.890864   6.329330   6.271044   4.943058
    23  Cl   4.517067   3.985073   3.706991   4.070193   3.362762
    24  H    4.892694   3.514821   4.119871   5.338951   5.277395
    25  H    5.572180   5.596755   5.936343   6.761214   6.165784
    26  H    3.062257   5.883369   7.078062   7.427198   6.555520
    27  H    4.205078   6.087319   7.427885   8.078740   7.479634
    28  H    5.442834   8.105896   9.276408   9.721920   8.803991
    29  H    5.849628   7.766484   8.894494   9.580385   8.813019
    30  H    4.586201   7.409112   8.259009   8.494778   7.341416
    31  H    6.196038   8.681815   9.550140   9.951461   8.873848
    32  H    6.241614   7.696599   8.423965   9.092224   8.229068
    33  H    5.467708   7.252339   7.800565   8.213880   7.152940
    34  H    4.466843   4.487776   5.913788   6.905039   6.806963
    35  H    4.254330   2.963618   4.310114   5.462299   5.608355
    36  H    2.674497   4.307873   5.761332   6.246704   5.843438
    37  H    3.291490   3.251983   4.769073   5.381516   5.403030
    38  H    1.078704   4.759413   5.796917   5.725611   4.752923
    39  H    2.226414   4.714678   5.045975   4.393668   2.995562
    40  H    4.122461   1.096856   2.163278   2.910857   3.642179
    41  H    4.213656   1.091219   2.162244   3.467740   3.947131
    42  H    5.693005   2.155991   1.091818   2.166444   3.476641
    43  H    4.973783   2.155689   1.091895   2.148732   2.733445
    44  H    5.672055   3.478879   2.163060   1.091500   2.159866
    45  H    4.753729   2.752319   2.156095   1.095354   2.163356
    46  H    4.263182   3.592842   2.868967   2.157402   1.092006
    47  H    4.090775   3.967479   3.473394   2.173756   1.092104
                   21         22         23         24         25
    21  Zr   0.000000
    22  Cl   2.434175   0.000000
    23  Cl   2.434888   3.726614   0.000000
    24  H    3.097961   5.282052   3.318428   0.000000
    25  H    3.176830   4.164790   3.116985   2.680823   0.000000
    26  H    3.536503   3.749846   5.940292   5.269470   5.268502
    27  H    4.361514   5.158335   6.619989   5.001884   5.391122
    28  H    5.433556   5.054936   7.614856   6.715863   6.074812
    29  H    5.193346   5.294296   7.109122   5.706647   5.000952
    30  H    4.032108   2.813714   5.902981   6.070831   4.801967
    31  H    5.347794   4.312617   6.991573   6.742431   5.147051
    32  H    4.581018   4.372984   5.697806   5.031725   3.130677
    33  H    3.745235   2.871054   4.721071   5.115747   2.992040
    34  H    4.417963   6.254212   6.181849   3.679216   5.336813
    35  H    3.888597   6.152057   5.126626   2.616913   4.918264
    36  H    3.894036   5.271906   6.099787   4.821970   6.072856
    37  H    4.409439   6.276517   6.143107   4.672848   6.575699
    38  H    3.100664   3.452280   5.326160   5.567357   5.991104
    39  H    3.204187   3.093448   4.316052   6.071507   6.208223
    40  H    4.528659   6.711580   5.066013   4.386017   6.600748
    41  H    3.679462   6.084452   4.033888   2.690090   5.078957
    42  H    5.272598   7.402869   4.612236   4.650963   6.683318
    43  H    3.938908   5.968929   2.874346   3.587566   5.153040
    44  H    5.441750   6.947569   4.443025   6.009906   7.303708
    45  H    5.230328   6.851494   5.044491   6.002080   7.598996
    46  H    3.608093   4.659434   2.625347   5.121046   5.647117
    47  H    4.468490   5.281111   4.237949   6.326863   7.067566
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.750248   0.000000
    28  H    2.418828   2.540541   0.000000
    29  H    3.045814   2.441739   1.756970   0.000000
    30  H    2.621920   3.766062   2.514697   3.056005   0.000000
    31  H    3.792993   4.309400   2.460857   2.526242   1.754782
    32  H    4.378257   4.429995   3.860191   2.738233   3.038868
    33  H    4.238846   4.926916   4.303173   3.803755   2.393245
    34  H    3.767432   2.639865   5.139822   4.512308   5.847564
    35  H    4.657115   4.030689   6.400215   5.724236   6.504674
    36  H    2.593963   2.537163   4.679367   4.881826   5.115117
    37  H    4.261165   4.042567   6.365486   6.335686   6.636818
    38  H    2.416378   3.790462   4.716458   5.403025   4.048548
    39  H    4.726134   6.164411   6.831965   7.349103   5.257492
    40  H    6.295404   6.408256   8.563203   8.316719   8.089616
    41  H    5.808504   5.736932   7.859927   7.306237   7.326488
    42  H    7.974560   8.171474  10.153314   9.692786   9.257907
    43  H    7.082535   7.437172   9.142138   8.630475   7.962768
    44  H    8.422444   9.095112  10.678371  10.492730   9.320775
    45  H    7.630440   8.263137  10.001039   9.975823   8.946786
    46  H    6.797953   7.742724   8.900155   8.799906   7.222990
    47  H    7.023718   8.103187   9.282265   9.467500   7.752950
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.390736   0.000000
    33  H    2.579482   1.754906   0.000000
    34  H    6.493415   5.742438   6.255351   0.000000
    35  H    7.348823   6.261956   6.490727   1.747437   0.000000
    36  H    6.263520   6.241115   6.209046   2.395498   3.044137
    37  H    7.804590   7.420608   7.369525   2.596950   2.404619
    38  H    5.673419   6.105454   5.381308   4.635470   4.812965
    39  H    6.978105   7.120337   5.856114   6.578024   6.105429
    40  H    9.388680   8.532019   8.154032   4.645512   3.215812
    41  H    8.424469   7.228733   7.007284   3.865898   2.181072
    42  H   10.495551   9.266659   8.749873   6.389751   4.699339
    43  H    9.157119   7.852131   7.210290   6.039727   4.446592
    44  H   10.755655   9.807749   8.867026   7.896259   6.389018
    45  H   10.460972   9.754677   8.916548   7.033259   5.658557
    46  H    8.672399   7.879608   6.719338   7.169472   5.956499
    47  H    9.368374   8.943917   7.749374   7.617065   6.521117
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.749441   0.000000
    38  H    2.590324   3.678298   0.000000
    39  H    4.897814   5.333004   2.680495   0.000000
    40  H    4.340961   2.948835   5.059496   5.213937   0.000000
    41  H    4.268889   3.248980   5.134564   5.424609   1.746393
    42  H    6.452022   5.245083   6.750440   6.090565   2.401079
    43  H    6.097998   5.320984   6.025294   5.171411   3.046154
    44  H    7.327568   6.448187   6.723546   5.134580   3.843190
    45  H    6.184335   5.166878   5.766222   4.609906   2.705512
    46  H    6.406727   6.107137   5.226920   3.315774   4.378320
    47  H    6.381422   6.006375   4.985744   2.860351   4.380098
                   41         42         43         44         45
    41  H    0.000000
    42  H    2.550217   0.000000
    43  H    2.408315   1.757790   0.000000
    44  H    4.299007   2.460372   2.511685   0.000000
    45  H    3.788609   2.520447   3.052343   1.756260   0.000000
    46  H    4.295778   3.811855   2.643262   2.418026   3.051641
    47  H    4.935969   4.311812   3.771807   2.557450   2.437727
                   46         47
    46  H    0.000000
    47  H    1.754944   0.000000
 Stoichiometry    C20H24Cl2Zr
 Framework group  C1[X(C20H24Cl2Zr)]
 Deg. of freedom   135
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3766532           0.1923391           0.1731426
 Leave Link  202 at Fri Jul 16 19:14:05 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37     38     39     40     41     42     43
 Centers:      44     45     46     47
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     13     14     15     16     17     18     19     20
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      22     23
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.4115300000D-04
     Exponent=  1.9170000000D+04 Coefficients=  1.8709500000D-03
     Exponent=  4.3630000000D+03 Coefficients=  9.7082700000D-03
     Exponent=  1.2360000000D+03 Coefficients=  3.9315300000D-02
     Exponent=  4.0360000000D+02 Coefficients=  1.2593200000D-01
     Exponent=  1.4570000000D+02 Coefficients=  2.9934100000D-01
     Exponent=  5.6810000000D+01 Coefficients=  4.2188600000D-01
     Exponent=  2.3230000000D+01 Coefficients=  2.3720100000D-01
     Exponent=  6.6440000000D+00 Coefficients=  1.9153100000D-02
     Exponent=  2.5750000000D+00 Coefficients= -3.3479200000D-03
     Exponent=  5.3710000000D-01 Coefficients=  9.2988300000D-04
     Exponent=  1.9380000000D-01 Coefficients= -3.9637900000D-04
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients= -6.7892200000D-05
     Exponent=  1.9170000000D+04 Coefficients= -5.2183600000D-04
     Exponent=  4.3630000000D+03 Coefficients= -2.7651300000D-03
     Exponent=  1.2360000000D+03 Coefficients= -1.1153700000D-02
     Exponent=  4.0360000000D+02 Coefficients= -3.8591900000D-02
     Exponent=  1.4570000000D+02 Coefficients= -9.9484800000D-02
     Exponent=  5.6810000000D+01 Coefficients= -2.0139200000D-01
     Exponent=  2.3230000000D+01 Coefficients= -1.3031300000D-01
     Exponent=  6.6440000000D+00 Coefficients=  5.0944300000D-01
     Exponent=  2.5750000000D+00 Coefficients=  6.1072500000D-01
     Exponent=  5.3710000000D-01 Coefficients=  4.2154900000D-02
     Exponent=  1.9380000000D-01 Coefficients= -9.2342700000D-03
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.0498600000D-05
     Exponent=  1.9170000000D+04 Coefficients=  1.5829800000D-04
     Exponent=  4.3630000000D+03 Coefficients=  8.3363900000D-04
     Exponent=  1.2360000000D+03 Coefficients=  3.3988000000D-03
     Exponent=  4.0360000000D+02 Coefficients=  1.1673800000D-02
     Exponent=  1.4570000000D+02 Coefficients=  3.0962200000D-02
     Exponent=  5.6810000000D+01 Coefficients=  6.2953300000D-02
     Exponent=  2.3230000000D+01 Coefficients=  4.6025700000D-02
     Exponent=  6.6440000000D+00 Coefficients= -2.1931200000D-01
     Exponent=  2.5750000000D+00 Coefficients= -4.0877300000D-01
     Exponent=  5.3710000000D-01 Coefficients=  6.3846500000D-01
     Exponent=  1.9380000000D-01 Coefficients=  5.6236200000D-01
 S 1 1.00
     Exponent=  1.9380000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.0800000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients=  5.2598200000D-03
     Exponent=  9.8330000000D+01 Coefficients=  3.9833200000D-02
     Exponent=  3.1040000000D+01 Coefficients=  1.6465500000D-01
     Exponent=  1.1190000000D+01 Coefficients=  3.8732200000D-01
     Exponent=  4.2490000000D+00 Coefficients=  4.5707200000D-01
     Exponent=  1.6240000000D+00 Coefficients=  1.5163600000D-01
     Exponent=  5.3220000000D-01 Coefficients=  1.8161500000D-03
     Exponent=  1.6200000000D-01 Coefficients=  1.8829600000D-03
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients= -1.4357000000D-03
     Exponent=  9.8330000000D+01 Coefficients= -1.0779600000D-02
     Exponent=  3.1040000000D+01 Coefficients= -4.7007500000D-02
     Exponent=  1.1190000000D+01 Coefficients= -1.1103000000D-01
     Exponent=  4.2490000000D+00 Coefficients= -1.5327500000D-01
     Exponent=  1.6240000000D+00 Coefficients=  8.9460900000D-02
     Exponent=  5.3220000000D-01 Coefficients=  5.7944400000D-01
     Exponent=  1.6200000000D-01 Coefficients=  4.8327200000D-01
 P 1 1.00
     Exponent=  1.6200000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.6600000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.9600000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      21
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients=  1.4860000000D-03
     Exponent=  1.7098100000D+01 Coefficients= -3.6592000000D-02
     Exponent=  1.0687500000D+01 Coefficients=  1.3215500000D-01
     Exponent=  3.3913400000D+00 Coefficients= -5.4645400000D-01
     Exponent=  7.8847500000D-01 Coefficients=  8.0229100000D-01
     Exponent=  3.5998200000D-01 Coefficients=  4.5830400000D-01
     Exponent=  7.7792000000D-02 Coefficients=  2.0388000000D-02
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients= -3.0800000000D-04
     Exponent=  1.7098100000D+01 Coefficients=  9.6310000000D-03
     Exponent=  1.0687500000D+01 Coefficients= -3.9043000000D-02
     Exponent=  3.3913400000D+00 Coefficients=  1.8471700000D-01
     Exponent=  7.8847500000D-01 Coefficients= -3.5846900000D-01
     Exponent=  3.5998200000D-01 Coefficients= -3.2082800000D-01
     Exponent=  7.7792000000D-02 Coefficients=  6.5604800000D-01
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients=  2.8110000000D-03
     Exponent=  1.7098100000D+01 Coefficients= -4.1292000000D-02
     Exponent=  1.0687500000D+01 Coefficients=  1.1489100000D-01
     Exponent=  3.3913400000D+00 Coefficients= -4.3480900000D-01
     Exponent=  7.8847500000D-01 Coefficients=  1.4174320000D+00
     Exponent=  3.5998200000D-01 Coefficients= -7.2861900000D-01
     Exponent=  7.7792000000D-02 Coefficients= -1.6769590000D+00
 S 1 1.00
     Exponent=  3.0234000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.1800000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients=  2.1436000000D-02
     Exponent=  4.4181900000D+00 Coefficients= -1.6041300000D-01
     Exponent=  1.0931000000D+00 Coefficients=  4.5432600000D-01
     Exponent=  5.1878600000D-01 Coefficients=  4.9911900000D-01
     Exponent=  2.3636300000D-01 Coefficients=  1.7778300000D-01
     Exponent=  8.4707000000D-02 Coefficients=  1.0404000000D-02
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients= -5.8310000000D-03
     Exponent=  4.4181900000D+00 Coefficients=  4.8152000000D-02
     Exponent=  1.0931000000D+00 Coefficients= -1.6008000000D-01
     Exponent=  5.1878600000D-01 Coefficients= -2.2013500000D-01
     Exponent=  2.3636300000D-01 Coefficients=  3.5515000000D-02
     Exponent=  8.4707000000D-02 Coefficients=  6.1817800000D-01
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients= -7.8290000000D-03
     Exponent=  4.4181900000D+00 Coefficients=  6.6008000000D-02
     Exponent=  1.0931000000D+00 Coefficients= -2.1137400000D-01
     Exponent=  5.1878600000D-01 Coefficients= -3.5754900000D-01
     Exponent=  2.3636300000D-01 Coefficients=  1.7038700000D-01
     Exponent=  8.4707000000D-02 Coefficients=  8.5184000000D-01
 P 1 1.00
     Exponent=  3.1138000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1400000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  4.3948700000D+00 Coefficients= -8.2920000000D-03
     Exponent=  1.5708900000D+00 Coefficients=  1.2784900000D-01
     Exponent=  6.9235400000D-01 Coefficients=  3.2190900000D-01
     Exponent=  2.9041400000D-01 Coefficients=  3.9981900000D-01
     Exponent=  1.1587800000D-01 Coefficients=  3.1947600000D-01
 D 5 1.00
     Exponent=  4.3948700000D+00 Coefficients=  8.4760000000D-03
     Exponent=  1.5708900000D+00 Coefficients= -1.5798900000D-01
     Exponent=  6.9235400000D-01 Coefficients= -3.9790000000D-01
     Exponent=  2.9041400000D-01 Coefficients= -2.5559900000D-01
     Exponent=  1.1587800000D-01 Coefficients=  4.9141800000D-01
 D 1 1.00
     Exponent=  4.2925000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5900000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2720000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  8.9100000000D-02 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          6
                                   No pseudopotential on this center.
    4          6
                                   No pseudopotential on this center.
    5          6
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          6
                                   No pseudopotential on this center.
   10          6
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          6
                                   No pseudopotential on this center.
   14          6
                                   No pseudopotential on this center.
   15          6
                                   No pseudopotential on this center.
   16          6
                                   No pseudopotential on this center.
   17          6
                                   No pseudopotential on this center.
   18          6
                                   No pseudopotential on this center.
   19          6
                                   No pseudopotential on this center.
   20          6
                                   No pseudopotential on this center.
   21         40           12
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2        8.6365280      150.24299400    0.00000000
                                                     2        3.7176390       18.78003600    0.00000000
                                      P - G
                                                     2        7.6267280       33.19279100    0.00000000
                                                     2        7.4532070       66.38903900    0.00000000
                                                     2        3.3583890        4.62072600    0.00000000
                                                     2        3.2297380        9.26027000    0.00000000
                                      D - G
                                                     2        5.9380860       13.99338300    0.00000000
                                                     2        5.8255440       20.99588200    0.00000000
                                                     2        2.2050190        2.28516600    0.00000000
                                                     2        2.2062920        3.44126000    0.00000000
                                      F - G
                                                     2        4.8002150       -5.23932000    0.00000000
                                                     2        4.7989920       -6.98742400    0.00000000
   22         17
                                   No pseudopotential on this center.
   23         17
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
   38          1
                                   No pseudopotential on this center.
   39          1
                                   No pseudopotential on this center.
   40          1
                                   No pseudopotential on this center.
   41          1
                                   No pseudopotential on this center.
   42          1
                                   No pseudopotential on this center.
   43          1
                                   No pseudopotential on this center.
   44          1
                                   No pseudopotential on this center.
   45          1
                                   No pseudopotential on this center.
   46          1
                                   No pseudopotential on this center.
   47          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  104 primitive shells out of 925 were deleted.
 There are   838 symmetry adapted cartesian basis functions of A   symmetry.
 There are   784 symmetry adapted basis functions of A   symmetry.
   784 basis functions,  1529 primitive gaussians,   838 cartesian basis functions
    95 alpha electrons       95 beta electrons
       nuclear repulsion energy      2554.1761945610 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.260000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.260000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   47 NActive=   47 NUniq=   47 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:              23.4 elap:               3.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   56832 LenP2D=  238453.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   784 RedAO= T EigKep=  1.08D-06  NBF=   784
 NBsUse=   781 1.00D-06 EigRej=  8.02D-07 NBFU=   781
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  40.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   838   838   838   838   838 MxSgAt=    47 MxSgA2=    47.
 Leave Link  302 at Fri Jul 16 19:14:14 2021, MaxMem=  5637144576 cpu:              37.8 elap:               4.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:15 2021, MaxMem=  5637144576 cpu:               4.4 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "35_ZrEnThind2Cl2_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:19 2021, MaxMem=  5637144576 cpu:              28.4 elap:               3.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5635724853 LenY=  5635021771
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 E= -1740.95115783920    
 DIIS: error= 1.44D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1740.95115783920     IErMin= 1 ErrMin= 1.44D-02
 ErrMax= 1.44D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-01 BMatP= 1.01D-01
 IDIUse=3 WtCom= 8.56D-01 WtEn= 1.44D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.305 Goal=   None    Shift=    0.000
 GapD=    0.305 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=4.26D-02 MaxDP=5.77D+00              OVMax= 1.84D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.34D-03    CP:  1.12D+00
 E= -1740.95893377531     Delta-E=       -0.007775936111 Rises=F Damp=T
 DIIS: error= 1.09D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1740.95893377531     IErMin= 2 ErrMin= 1.09D-02
 ErrMax= 1.09D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-02 BMatP= 1.01D-01
 IDIUse=3 WtCom= 8.91D-01 WtEn= 1.09D-01
 Coeff-Com: -0.302D+01 0.402D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.269D+01 0.369D+01
 Gap=     0.308 Goal=   None    Shift=    0.000
 RMSDP=3.84D-02 MaxDP=5.30D+00 DE=-7.78D-03 OVMax= 8.33D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.30D-02    CP:  1.55D+00  3.00D+00
 E= -1740.98327505412     Delta-E=       -0.024341278807 Rises=F Damp=F
 DIIS: error= 4.76D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1740.98327505412     IErMin= 3 ErrMin= 4.76D-04
 ErrMax= 4.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.15D-04 BMatP= 5.74D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.76D-03
 Coeff-Com: -0.139D+01 0.184D+01 0.548D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.138D+01 0.183D+01 0.550D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.21D-03 MaxDP=1.67D-01 DE=-2.43D-02 OVMax= 5.35D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.48D-04    CP:  1.57D+00  3.00D+00  1.06D+00
 E= -1740.98393334454     Delta-E=       -0.000658290428 Rises=F Damp=F
 DIIS: error= 1.89D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1740.98393334454     IErMin= 4 ErrMin= 1.89D-04
 ErrMax= 1.89D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.53D-05 BMatP= 7.15D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.89D-03
 Coeff-Com: -0.167D+00 0.218D+00 0.231D+00 0.717D+00
 Coeff-En:   0.000D+00 0.000D+00 0.352D-02 0.996D+00
 Coeff:     -0.166D+00 0.218D+00 0.230D+00 0.718D+00
 Gap=     0.306 Goal=   None    Shift=    0.000
 RMSDP=3.63D-04 MaxDP=5.68D-02 DE=-6.58D-04 OVMax= 2.54D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.78D-04    CP:  1.57D+00  3.00D+00  1.08D+00  9.31D-01
 E= -1740.98400018999     Delta-E=       -0.000066845443 Rises=F Damp=F
 DIIS: error= 6.54D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1740.98400018999     IErMin= 5 ErrMin= 6.54D-05
 ErrMax= 6.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.97D-06 BMatP= 6.53D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D+00-0.140D+00 0.273D-01 0.331D+00 0.677D+00
 Coeff:      0.105D+00-0.140D+00 0.273D-01 0.331D+00 0.677D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=1.25D-04 MaxDP=2.07D-02 DE=-6.68D-05 OVMax= 6.94D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.15D-05    CP:  1.57D+00  3.00D+00  1.08D+00  1.01D+00  1.07D+00
 E= -1740.98401084857     Delta-E=       -0.000010658589 Rises=F Damp=F
 DIIS: error= 1.13D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1740.98401084857     IErMin= 6 ErrMin= 1.13D-05
 ErrMax= 1.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-07 BMatP= 9.97D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.557D-01-0.739D-01-0.131D-01 0.596D-01 0.250D+00 0.722D+00
 Coeff:      0.557D-01-0.739D-01-0.131D-01 0.596D-01 0.250D+00 0.722D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=3.00D-05 MaxDP=3.11D-03 DE=-1.07D-05 OVMax= 2.48D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.67D-05    CP:  1.57D+00  3.00D+00  1.08D+00  1.02D+00  1.09D+00
                    CP:  9.67D-01
 E= -1740.98401151460     Delta-E=       -0.000000666025 Rises=F Damp=F
 DIIS: error= 4.17D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1740.98401151460     IErMin= 7 ErrMin= 4.17D-06
 ErrMax= 4.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.95D-08 BMatP= 5.74D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-01-0.199D-01-0.865D-02-0.377D-02 0.480D-01 0.327D+00
 Coeff-Com:  0.643D+00
 Coeff:      0.151D-01-0.199D-01-0.865D-02-0.377D-02 0.480D-01 0.327D+00
 Coeff:      0.643D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=5.26D-06 MaxDP=4.16D-04 DE=-6.66D-07 OVMax= 1.35D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.67D-06    CP:  1.57D+00  3.00D+00  1.08D+00  1.02D+00  1.09D+00
                    CP:  9.90D-01  9.10D-01
 E= -1740.98401162723     Delta-E=       -0.000000112635 Rises=F Damp=F
 DIIS: error= 1.07D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1740.98401162723     IErMin= 8 ErrMin= 1.07D-06
 ErrMax= 1.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.70D-09 BMatP= 8.95D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.359D-02 0.478D-02-0.662D-03-0.916D-02-0.230D-01-0.117D-01
 Coeff-Com:  0.184D+00 0.860D+00
 Coeff:     -0.359D-02 0.478D-02-0.662D-03-0.916D-02-0.230D-01-0.117D-01
 Coeff:      0.184D+00 0.860D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=3.95D-06 MaxDP=5.29D-04 DE=-1.13D-07 OVMax= 8.21D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.84D-06    CP:  1.57D+00  3.00D+00  1.08D+00  1.02D+00  1.09D+00
                    CP:  9.94D-01  9.69D-01  1.10D+00
 E= -1740.98401164273     Delta-E=       -0.000000015500 Rises=F Damp=F
 DIIS: error= 6.43D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1740.98401164273     IErMin= 9 ErrMin= 6.43D-07
 ErrMax= 6.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-09 BMatP= 6.70D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.312D-02 0.414D-02 0.649D-03-0.302D-02-0.149D-01-0.432D-01
 Coeff-Com:  0.682D-02 0.334D+00 0.718D+00
 Coeff:     -0.312D-02 0.414D-02 0.649D-03-0.302D-02-0.149D-01-0.432D-01
 Coeff:      0.682D-02 0.334D+00 0.718D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=1.05D-06 MaxDP=1.15D-04 DE=-1.55D-08 OVMax= 4.00D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.81D-07    CP:  1.57D+00  3.00D+00  1.08D+00  1.02D+00  1.09D+00
                    CP:  9.93D-01  9.78D-01  1.15D+00  1.07D+00
 E= -1740.98401164523     Delta-E=       -0.000000002495 Rises=F Damp=F
 DIIS: error= 2.90D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1740.98401164523     IErMin=10 ErrMin= 2.90D-07
 ErrMax= 2.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-10 BMatP= 1.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.608D-03 0.803D-03 0.425D-03 0.815D-03-0.142D-02-0.171D-01
 Coeff-Com: -0.330D-01-0.476D-01 0.324D+00 0.774D+00
 Coeff:     -0.608D-03 0.803D-03 0.425D-03 0.815D-03-0.142D-02-0.171D-01
 Coeff:     -0.330D-01-0.476D-01 0.324D+00 0.774D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=4.02D-07 MaxDP=2.48D-05 DE=-2.49D-09 OVMax= 2.24D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.26D-07    CP:  1.57D+00  3.00D+00  1.08D+00  1.02D+00  1.09D+00
                    CP:  9.93D-01  9.78D-01  1.16D+00  1.17D+00  1.00D+00
 E= -1740.98401164607     Delta-E=       -0.000000000841 Rises=F Damp=F
 DIIS: error= 9.93D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -1740.98401164607     IErMin=11 ErrMin= 9.93D-08
 ErrMax= 9.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-11 BMatP= 3.04D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.418D-03-0.556D-03-0.137D-05 0.762D-03 0.250D-02 0.292D-02
 Coeff-Com: -0.945D-02-0.799D-01-0.396D-01 0.195D+00 0.928D+00
 Coeff:      0.418D-03-0.556D-03-0.137D-05 0.762D-03 0.250D-02 0.292D-02
 Coeff:     -0.945D-02-0.799D-01-0.396D-01 0.195D+00 0.928D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=2.65D-07 MaxDP=3.41D-05 DE=-8.41D-10 OVMax= 1.24D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  1.57D+00  3.00D+00  1.08D+00  1.02D+00  1.09D+00
                    CP:  9.93D-01  9.81D-01  1.16D+00  1.18D+00  1.08D+00
                    CP:  1.16D+00
 E= -1740.98401164647     Delta-E=       -0.000000000398 Rises=F Damp=F
 DIIS: error= 2.97D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -1740.98401164647     IErMin=12 ErrMin= 2.97D-08
 ErrMax= 2.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-12 BMatP= 2.88D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.216D-03-0.287D-03-0.538D-04 0.124D-03 0.102D-02 0.318D-02
 Coeff-Com:  0.149D-02-0.190D-01-0.503D-01-0.427D-01 0.286D+00 0.821D+00
 Coeff:      0.216D-03-0.287D-03-0.538D-04 0.124D-03 0.102D-02 0.318D-02
 Coeff:      0.149D-02-0.190D-01-0.503D-01-0.427D-01 0.286D+00 0.821D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=9.13D-08 MaxDP=1.12D-05 DE=-3.98D-10 OVMax= 3.29D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.32D-08    CP:  1.57D+00  3.00D+00  1.08D+00  1.02D+00  1.09D+00
                    CP:  9.93D-01  9.81D-01  1.16D+00  1.18D+00  1.07D+00
                    CP:  1.22D+00  1.08D+00
 E= -1740.98401164671     Delta-E=       -0.000000000236 Rises=F Damp=F
 DIIS: error= 1.15D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -1740.98401164671     IErMin=13 ErrMin= 1.15D-08
 ErrMax= 1.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.47D-13 BMatP= 4.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.486D-05-0.626D-05-0.159D-04-0.762D-04-0.611D-04 0.543D-03
 Coeff-Com:  0.174D-02 0.605D-02-0.919D-02-0.435D-01-0.499D-01 0.253D+00
 Coeff-Com:  0.841D+00
 Coeff:      0.486D-05-0.626D-05-0.159D-04-0.762D-04-0.611D-04 0.543D-03
 Coeff:      0.174D-02 0.605D-02-0.919D-02-0.435D-01-0.499D-01 0.253D+00
 Coeff:      0.841D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=2.45D-08 MaxDP=1.47D-06 DE=-2.36D-10 OVMax= 1.03D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.82D-08    CP:  1.57D+00  3.00D+00  1.08D+00  1.02D+00  1.09D+00
                    CP:  9.93D-01  9.81D-01  1.16D+00  1.18D+00  1.07D+00
                    CP:  1.23D+00  1.15D+00  1.07D+00
 E= -1740.98401164641     Delta-E=        0.000000000298 Rises=F Damp=F
 DIIS: error= 3.34D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -1740.98401164671     IErMin=14 ErrMin= 3.34D-09
 ErrMax= 3.34D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.74D-14 BMatP= 5.47D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.223D-04 0.296D-04 0.144D-05-0.309D-04-0.128D-03-0.199D-03
 Coeff-Com:  0.237D-03 0.365D-02 0.296D-02-0.621D-02-0.400D-01-0.247D-01
 Coeff-Com:  0.203D+00 0.861D+00
 Coeff:     -0.223D-04 0.296D-04 0.144D-05-0.309D-04-0.128D-03-0.199D-03
 Coeff:      0.237D-03 0.365D-02 0.296D-02-0.621D-02-0.400D-01-0.247D-01
 Coeff:      0.203D+00 0.861D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=1.22D-08 MaxDP=1.51D-06 DE= 2.98D-10 OVMax= 2.03D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  5.01D-09    CP:  1.57D+00  3.00D+00  1.08D+00  1.02D+00  1.09D+00
                    CP:  9.93D-01  9.82D-01  1.16D+00  1.18D+00  1.07D+00
                    CP:  1.23D+00  1.16D+00  1.11D+00  1.12D+00
 E= -1740.98401164637     Delta-E=        0.000000000038 Rises=F Damp=F
 DIIS: error= 1.34D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=13 EnMin= -1740.98401164671     IErMin=15 ErrMin= 1.34D-09
 ErrMax= 1.34D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.43D-15 BMatP= 4.74D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.751D-05 0.997D-05 0.215D-05-0.242D-07-0.330D-04-0.121D-03
 Coeff-Com: -0.139D-03 0.454D-03 0.189D-02 0.297D-02-0.622D-02-0.376D-01
 Coeff-Com: -0.369D-01 0.263D+00 0.812D+00
 Coeff:     -0.751D-05 0.997D-05 0.215D-05-0.242D-07-0.330D-04-0.121D-03
 Coeff:     -0.139D-03 0.454D-03 0.189D-02 0.297D-02-0.622D-02-0.376D-01
 Coeff:     -0.369D-01 0.263D+00 0.812D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=4.42D-09 MaxDP=6.77D-07 DE= 3.82D-11 OVMax= 5.87D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -1740.98401165     A.U. after   15 cycles
            NFock= 15  Conv=0.44D-08     -V/T= 2.0218
 KE= 1.703771272447D+03 PE=-9.186924605224D+03 EE= 3.187993126570D+03
 Leave Link  502 at Fri Jul 16 22:04:22 2021, MaxMem=  5637144576 cpu:           81402.9 elap:           10202.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   781
 NBasis=   784 NAE=    95 NBE=    95 NFC=     0 NFV=     0
 NROrb=    781 NOA=    95 NOB=    95 NVA=   686 NVB=   686

 **** Warning!!: The largest alpha MO coefficient is  0.11037801D+03

 Leave Link  801 at Fri Jul 16 22:04:23 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  40.
        14791 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          47
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.09D-12 8.33D-09 XBig12= 1.00D+00 2.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.09D-12 8.33D-09 XBig12= 2.50D-01 3.87D-02.
     11 vectors produced by pass  2 Test12= 1.09D-12 8.33D-09 XBig12= 8.50D-02 8.69D-02.
     11 vectors produced by pass  3 Test12= 1.09D-12 8.33D-09 XBig12= 1.41D-02 4.76D-02.
     11 vectors produced by pass  4 Test12= 1.09D-12 8.33D-09 XBig12= 2.47D-03 1.50D-02.
     11 vectors produced by pass  5 Test12= 1.09D-12 8.33D-09 XBig12= 5.06D-04 5.27D-03.
     11 vectors produced by pass  6 Test12= 1.09D-12 8.33D-09 XBig12= 6.40D-05 1.84D-03.
     11 vectors produced by pass  7 Test12= 1.09D-12 8.33D-09 XBig12= 1.01D-05 7.16D-04.
     11 vectors produced by pass  8 Test12= 1.09D-12 8.33D-09 XBig12= 1.15D-06 2.21D-04.
     11 vectors produced by pass  9 Test12= 1.09D-12 8.33D-09 XBig12= 1.05D-07 4.81D-05.
     11 vectors produced by pass 10 Test12= 1.09D-12 8.33D-09 XBig12= 7.40D-09 1.30D-05.
     11 vectors produced by pass 11 Test12= 1.09D-12 8.33D-09 XBig12= 4.02D-10 3.59D-06.
     11 vectors produced by pass 12 Test12= 1.09D-12 8.33D-09 XBig12= 2.52D-11 6.18D-07.
      9 vectors produced by pass 13 Test12= 1.09D-12 8.33D-09 XBig12= 1.72D-12 1.33D-07.
      8 vectors produced by pass 14 Test12= 1.09D-12 8.33D-09 XBig12= 1.87D-12 9.59D-08.
      5 vectors produced by pass 15 Test12= 1.09D-12 8.33D-09 XBig12= 1.04D-12 4.54D-08.
      3 vectors produced by pass 16 Test12= 1.09D-12 8.33D-09 XBig12= 4.78D-13 2.94D-08.
      1 vectors produced by pass 17 Test12= 1.09D-12 8.33D-09 XBig12= 1.90D-13 1.68D-08.
      1 vectors produced by pass 18 Test12= 1.09D-12 8.33D-09 XBig12= 1.96D-14 1.03D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.14D-13
 Solved reduced A of dimension   170 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.340610D+03
      2 -0.448961D+00  0.272445D+03
      3 -0.480058D+01  0.458539D+00  0.252545D+03
 Isotropic polarizability for W=    0.085645      288.53 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.464418D+01 -0.997872D+02 -0.866636D+01
      2   0.931807D+01  0.193802D+03 -0.168226D+00
      3  -0.467389D+01 -0.940152D+02  0.883459D+01
      4   0.240691D+02  0.165446D+02 -0.314293D+02
      5  -0.150250D+02 -0.278716D+02 -0.927506D+01
      6  -0.608852D+01 -0.117118D+02  0.549148D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.403101D+01 -0.120409D+01 -0.521265D+02
      2  -0.262610D+00 -0.149755D+02 -0.230231D+01
      3   0.841190D+02 -0.470143D+01  0.177652D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.355769D+01 -0.115436D+02 -0.995067D+02
      2   0.635860D+01 -0.253407D+02 -0.460117D+01
      3   0.123856D+03 -0.722653D+01  0.217831D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.228427D+01 -0.281447D+00 -0.495442D+01
      2  -0.281447D+00  0.531909D+00  0.272472D+00
      3  -0.495442D+01  0.272472D+00 -0.405749D+01
 OR G Eigenvalues:    -6.7703     0.5017     5.0274  Iso=     0.4138
 Eigenvectors:
   (1)   0.479623  -0.014251   0.877359
   (2)   0.080297   0.996386  -0.027711
   (3)   0.873793  -0.083740  -0.479033
 w=    0.085645 a.u., Optical Rotation Beta=      0.4138 au.
 Molar Mass =    426.5356 grams/mole, [Alpha] ( 5320.0 A) =       46.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  307720 ScalPx= 3.69D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  307720 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.69D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.81D-13 2.78D-09 XBig12= 1.00D+00 2.73D-01.
     30 vectors produced by pass  1 Test12= 1.81D-13 2.78D-09 XBig12= 4.36D-01 1.29D-01.
     30 vectors produced by pass  2 Test12= 1.81D-13 2.78D-09 XBig12= 1.10D-02 2.65D-02.
     30 vectors produced by pass  3 Test12= 1.81D-13 2.78D-09 XBig12= 9.41D-04 4.84D-03.
     30 vectors produced by pass  4 Test12= 1.81D-13 2.78D-09 XBig12= 5.93D-05 1.00D-03.
     30 vectors produced by pass  5 Test12= 1.81D-13 2.78D-09 XBig12= 1.91D-06 1.33D-04.
     30 vectors produced by pass  6 Test12= 1.81D-13 2.78D-09 XBig12= 7.98D-08 2.24D-05.
     30 vectors produced by pass  7 Test12= 1.81D-13 2.78D-09 XBig12= 1.80D-09 3.96D-06.
     30 vectors produced by pass  8 Test12= 1.81D-13 2.78D-09 XBig12= 3.17D-11 3.47D-07.
     30 vectors produced by pass  9 Test12= 1.81D-13 2.78D-09 XBig12= 1.51D-12 5.78D-08.
     25 vectors produced by pass 10 Test12= 1.81D-13 2.78D-09 XBig12= 4.49D-13 2.19D-08.
     10 vectors produced by pass 11 Test12= 1.81D-13 2.78D-09 XBig12= 5.11D-13 3.44D-08.
      5 vectors produced by pass 12 Test12= 1.81D-13 2.78D-09 XBig12= 3.14D-13 2.71D-08.
      5 vectors produced by pass 13 Test12= 1.81D-13 2.78D-09 XBig12= 2.86D-13 2.25D-08.
      5 vectors produced by pass 14 Test12= 1.81D-13 2.78D-09 XBig12= 9.41D-13 3.83D-08.
      4 vectors produced by pass 15 Test12= 1.81D-13 2.78D-09 XBig12= 3.41D-13 2.45D-08.
      4 vectors produced by pass 16 Test12= 1.81D-13 2.78D-09 XBig12= 7.23D-13 3.36D-08.
      4 vectors produced by pass 17 Test12= 1.81D-13 2.78D-09 XBig12= 2.60D-13 2.37D-08.
      3 vectors produced by pass 18 Test12= 1.81D-13 2.78D-09 XBig12= 1.29D-13 1.44D-08.
      1 vectors produced by pass 19 Test12= 1.81D-13 2.78D-09 XBig12= 7.01D-14 9.85D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   366 with    30 vectors.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  307720 ScalPx= 1.39D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  307720 ScalPx= 1.39D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  307720 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.13D+04
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.340610D+03 -0.448961D+00 -0.480058D+01
      2  -0.448961D+00  0.272445D+03  0.458539D+00
      3  -0.480058D+01  0.458539D+00  0.252545D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.403101D+01 -0.120409D+01 -0.521265D+02
      2  -0.262610D+00 -0.149755D+02 -0.230231D+01
      3   0.841190D+02 -0.470143D+01  0.177652D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.464418D+01 -0.997872D+02 -0.866636D+01
      2   0.931807D+01  0.193802D+03 -0.168226D+00
      3  -0.467389D+01 -0.940152D+02  0.883459D+01
      4   0.240691D+02  0.165446D+02 -0.314293D+02
      5  -0.150250D+02 -0.278716D+02 -0.927506D+01
      6  -0.608852D+01 -0.117118D+02  0.549148D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.424390D+01  0.642149D+00  0.945548D+00  0.364716D+00 -0.191619D+01
      2   0.642149D+00 -0.681898D+00  0.723675D-01 -0.191619D+01 -0.630971D+01
      3   0.945548D+00  0.723675D-01  0.140506D+01  0.674413D+00  0.793936D+00
                 6             7             8             9            10 
      1   0.674413D+00  0.394075D+01  0.127913D+01 -0.212391D+00  0.100623D+02
      2   0.793936D+00  0.127913D+01  0.975102D+00 -0.557950D+00  0.359917D+01
      3   0.561651D+00 -0.212391D+00 -0.557950D+00  0.388286D+01 -0.751034D+00
                11            12            13            14            15 
      1   0.359917D+01 -0.751034D+00  0.103023D+02  0.382683D+01 -0.336834D+01
      2   0.518689D+01 -0.188080D+01  0.382683D+01  0.583418D+00  0.907932D-01
      3  -0.188080D+01  0.118029D+01 -0.336834D+01  0.907932D-01  0.206890D+01
                16            17            18            19            20 
      1  -0.629956D+01 -0.282640D-01  0.309787D+01  0.145677D+02 -0.318459D+01
      2  -0.282640D-01 -0.294883D+01  0.143883D+01 -0.318459D+01  0.263058D+01
      3   0.309787D+01  0.143883D+01 -0.213790D+01  0.490528D+01 -0.131034D+01
                21            22            23            24            25 
      1   0.490528D+01 -0.104163D+02  0.733422D+00  0.336919D+01  0.423486D+01
      2  -0.131034D+01  0.733422D+00 -0.801948D+00 -0.241181D+00  0.263022D+01
      3   0.277277D+01  0.336919D+01 -0.241181D+00 -0.865911D+00 -0.184201D+01
                26            27            28            29            30 
      1   0.263022D+01 -0.184201D+01 -0.723383D+01  0.976806D+00 -0.350794D+01
      2  -0.258411D+01 -0.115234D+00  0.976806D+00  0.456779D+00  0.104397D+01
      3  -0.115234D+00  0.543533D+00 -0.350794D+01  0.104397D+01 -0.310689D+01
                31            32            33            34            35 
      1   0.266705D+01 -0.156745D+01  0.556386D+00 -0.555449D+01  0.121085D+01
      2  -0.156745D+01  0.518253D+01 -0.484817D+00  0.121085D+01  0.735416D+00
      3   0.556386D+00 -0.484817D+00 -0.350874D+00 -0.497714D+01 -0.365953D+00
                36            37            38            39            40 
      1  -0.497714D+01 -0.678004D+01  0.459986D+01  0.109579D+01  0.555402D+01
      2  -0.365953D+00  0.459986D+01 -0.922727D+00 -0.175031D+00 -0.954046D+00
      3  -0.196167D+01  0.109579D+01 -0.175031D+00  0.258239D+01 -0.114843D-01
                41            42            43            44            45 
      1  -0.954046D+00 -0.114843D-01  0.384016D+00  0.582544D-01  0.330713D+01
      2  -0.160448D+01  0.846909D+00  0.582544D-01  0.789326D+00  0.182674D+01
      3   0.846909D+00  0.181236D+01  0.330713D+01  0.182674D+01  0.853947D+00
                46            47            48            49            50 
      1   0.129369D+01 -0.336954D+01  0.438180D+00 -0.584760D+01 -0.122552D+01
      2  -0.336954D+01 -0.639296D+00  0.297383D+00 -0.122552D+01  0.186063D+01
      3   0.438180D+00  0.297383D+00 -0.362732D+01  0.417878D+00 -0.473669D+00
                51            52            53            54            55 
      1   0.417878D+00  0.185902D+01  0.366420D+00 -0.628112D+01  0.308084D+01
      2  -0.473669D+00  0.366420D+00 -0.477129D+00 -0.307073D+01  0.160594D+01
      3  -0.256439D+01 -0.628112D+01 -0.307073D+01  0.754755D+00  0.431727D+00
                56            57            58            59            60 
      1   0.160594D+01  0.431727D+00 -0.148280D+01 -0.447260D+00  0.173676D+01
      2  -0.257829D+01  0.387828D+00 -0.447260D+00  0.112254D+01 -0.243141D+00
      3   0.387828D+00  0.453266D+01  0.173676D+01 -0.243141D+00 -0.863758D+00
                61            62            63            64            65 
      1   0.419164D+01 -0.184427D+01  0.578367D+01 -0.153186D+01 -0.118444D+01
      2  -0.184427D+01  0.865632D+00  0.835636D+00 -0.118444D+01  0.209800D+00
      3   0.578367D+01  0.835636D+00  0.625637D+01  0.157779D+01  0.177339D+01
                66            67            68            69            70 
      1   0.157779D+01  0.144665D+01  0.860103D+00  0.996695D-01 -0.697932D+00
      2   0.177339D+01  0.860103D+00 -0.110015D+01  0.136770D+01 -0.948523D+00
      3   0.759807D+00  0.996695D-01  0.136770D+01  0.395233D+01  0.173274D+01
                71            72            73            74            75 
      1  -0.948523D+00  0.173274D+01 -0.591845D+01  0.150747D+01 -0.130479D+00
      2   0.421685D+01  0.262202D+01  0.150747D+01 -0.168707D+01  0.330531D+01
      3   0.262202D+01  0.760544D+01 -0.130479D+00  0.330531D+01  0.104759D+00
                76            77            78            79            80 
      1   0.117585D+01  0.126126D-01 -0.320712D+00 -0.209540D+00  0.226401D+01
      2   0.126126D-01  0.125536D+02  0.137496D+01  0.226401D+01  0.129829D+01
      3  -0.320712D+00  0.137496D+01  0.177965D+01 -0.800930D+00  0.806227D+00
                81            82            83            84            85 
      1  -0.800930D+00  0.706167D+00 -0.271636D+01 -0.186530D+01 -0.113271D+01
      2   0.806227D+00 -0.271636D+01 -0.431436D+01 -0.675193D+00 -0.277681D+01
      3  -0.245586D+01 -0.186530D+01 -0.675193D+00  0.169885D+01  0.335610D+00
                86            87            88            89            90 
      1  -0.277681D+01  0.335610D+00 -0.134204D+01 -0.425063D-01  0.231417D+01
      2  -0.814177D+01 -0.133622D+01 -0.425063D-01  0.115564D+01 -0.110591D+01
      3  -0.133622D+01 -0.801358D-01  0.231417D+01 -0.110591D+01  0.162311D+00
                91            92            93            94            95 
      1  -0.927716D+00 -0.261206D+01  0.187037D+01 -0.866497D+00  0.259007D+01
      2  -0.261206D+01  0.420459D+01 -0.822348D+00  0.259007D+01 -0.803629D+01
      3   0.187037D+01 -0.822348D+00 -0.168206D+01  0.166531D+00  0.151284D+01
                96            97            98            99           100 
      1   0.166531D+00  0.106143D+01 -0.253006D+00 -0.231028D+01  0.718289D+01
      2   0.151284D+01 -0.253006D+00 -0.105186D+01 -0.113045D+01  0.112251D+01
      3  -0.806440D-01 -0.231028D+01 -0.113045D+01 -0.170238D+00  0.157334D-01
               101           102           103           104           105 
      1   0.112251D+01  0.157334D-01  0.548513D+00  0.637032D+00 -0.399632D+00
      2   0.196057D+01  0.282353D+01  0.637032D+00  0.121168D+02 -0.135521D+01
      3   0.282353D+01 -0.223518D+00 -0.399632D+00 -0.135521D+01  0.157668D+01
               106           107           108           109           110 
      1   0.784710D+00  0.230250D+01  0.112857D+01 -0.985691D+01  0.412962D+01
      2   0.230250D+01 -0.129526D+01  0.115098D+01  0.412962D+01 -0.609855D+01
      3   0.112857D+01  0.115098D+01  0.246446D+01  0.215658D+00 -0.156912D+01
               111           112           113           114           115 
      1   0.215658D+00  0.102793D+02 -0.468326D+01 -0.238718D+01  0.708460D+01
      2  -0.156912D+01 -0.468326D+01  0.943310D+00  0.195503D+00 -0.245975D+00
      3  -0.485708D+00 -0.238718D+01  0.195503D+00  0.184685D+01 -0.312722D+01
               116           117           118           119           120 
      1  -0.245975D+00 -0.312722D+01 -0.154003D+02 -0.313193D+01 -0.504479D+01
      2   0.289636D+01  0.128996D+01 -0.313193D+01 -0.274342D+01 -0.115444D+01
      3   0.128996D+01  0.166626D+01 -0.504479D+01 -0.115444D+01 -0.317673D+01
               121           122           123           124           125 
      1  -0.918480D+01 -0.522825D+00  0.330075D+01 -0.438419D+01  0.259691D+01
      2  -0.522825D+00 -0.582374D+00  0.594923D-01  0.259691D+01  0.238226D+01
      3   0.330075D+01  0.594923D-01 -0.103063D+01  0.139634D+01 -0.246676D+00
               126           127           128           129           130 
      1   0.139634D+01 -0.223707D+01  0.221759D+01  0.488764D+00 -0.868893D+00
      2  -0.246676D+00  0.221759D+01  0.278505D+01  0.563644D+00  0.675067D+00
      3  -0.119627D+01  0.488764D+00  0.563644D+00 -0.435210D+01  0.172990D+01
               131           132           133           134           135 
      1   0.675067D+00  0.172990D+01 -0.461814D+01 -0.181406D+01 -0.565793D+01
      2   0.904621D+00  0.355974D+00 -0.181406D+01 -0.608222D+00  0.853761D+00
      3   0.355974D+00 -0.627078D+00 -0.565793D+01  0.853761D+00 -0.667936D+01
               136           137           138           139           140 
      1   0.899260D+00 -0.109347D+01 -0.139304D+01  0.149487D+01 -0.122038D+01
      2  -0.109347D+01  0.691202D-01  0.158722D+01 -0.122038D+01 -0.120930D+01
      3  -0.139304D+01  0.158722D+01 -0.554219D+00 -0.332023D+00 -0.175358D+01
               141           142           143           144           145 
      1  -0.332023D+00  0.443806D+00 -0.130685D+01 -0.150624D+01  0.432171D+01
      2  -0.175358D+01 -0.130685D+01 -0.413888D+01  0.244144D+01 -0.265700D+01
      3   0.382729D+01 -0.150624D+01  0.244144D+01 -0.770204D+01 -0.796069D+00
               146           147           148           149           150 
      1  -0.265700D+01 -0.796069D+00 -0.610857D+01  0.647887D+01 -0.476363D+00
      2   0.339459D+01 -0.130490D+01  0.647887D+01 -0.555826D+01 -0.438527D+00
      3  -0.130490D+01 -0.105747D+01 -0.476363D+00 -0.438527D+00 -0.148795D+01
               151           152           153           154           155 
      1  -0.207519D+01 -0.229537D+01 -0.272129D+00  0.995723D+00 -0.235631D+01
      2  -0.229537D+01 -0.515128D-01 -0.215024D+01 -0.235631D+01 -0.385292D+00
      3  -0.272129D+00 -0.215024D+01 -0.168948D+01 -0.253692D+01  0.321224D+01
               156           157           158           159           160 
      1  -0.253692D+01 -0.365139D+01 -0.310751D+00  0.410965D+01 -0.291886D+01
      2   0.321224D+01 -0.310751D+00  0.683569D+00 -0.159273D+01  0.392264D+01
      3   0.165363D+01  0.410965D+01 -0.159273D+01  0.514177D+00  0.178151D+01
               161           162           163           164           165 
      1   0.392264D+01  0.178151D+01  0.513786D+01  0.276184D+01  0.641089D+00
      2  -0.165988D+01  0.869724D+00  0.276184D+01  0.161637D+01 -0.277904D+01
      3   0.869724D+00 -0.170486D+01  0.641089D+00 -0.277904D+01 -0.242857D+00
               166           167           168           169           170 
      1   0.469125D+01  0.283016D+01 -0.409187D+01  0.806690D+00 -0.414703D+01
      2   0.283016D+01 -0.478058D+00  0.901094D+00 -0.414703D+01  0.735085D+00
      3  -0.409187D+01  0.901094D+00 -0.167985D+01  0.627653D+00 -0.186131D+01
               171           172           173           174           175 
      1   0.627653D+00  0.380389D+01  0.671526D+00  0.740008D+00  0.399842D+01
      2  -0.186131D+01  0.671526D+00  0.563529D+00  0.227237D+01  0.247616D+01
      3   0.730320D+00  0.740008D+00  0.227237D+01  0.192620D+01  0.285893D+01
               176           177           178           179           180 
      1   0.247616D+01  0.285893D+01 -0.425158D+00  0.207194D+01  0.292971D+01
      2   0.329698D+01 -0.308272D+00  0.207194D+01 -0.797987D+00  0.289094D+01
      3  -0.308272D+00  0.227493D+01  0.292971D+01  0.289094D+01  0.268425D+01
               181           182           183           184           185 
      1   0.172221D-01 -0.596955D+01  0.886485D-01  0.116348D+01 -0.212179D+00
      2  -0.596955D+01 -0.236314D+00 -0.241465D+01 -0.212179D+00 -0.906261D+01
      3   0.886485D-01 -0.241465D+01  0.480816D-01 -0.189098D+01  0.266971D+00
               186           187           188           189           190 
      1  -0.189098D+01  0.232036D-01 -0.327612D+01  0.151588D+00  0.853842D+01
      2   0.266971D+00 -0.327612D+01  0.733095D-01 -0.445920D+01 -0.145553D+01
      3  -0.123852D+01  0.151588D+00 -0.445920D+01  0.301177D+00 -0.372594D+00
               191           192           193           194           195 
      1  -0.145553D+01 -0.372594D+00 -0.429677D+01  0.135248D+01 -0.178306D+00
      2   0.432329D+00  0.562478D+00  0.135248D+01 -0.103927D+02 -0.247438D+01
      3   0.562478D+00  0.132507D+01 -0.178306D+00 -0.247438D+01 -0.279629D+01
               196           197           198           199           200 
      1  -0.297533D+01  0.704309D+00  0.676000D+00 -0.920771D+01 -0.787973D+00
      2   0.704309D+00 -0.159215D+01 -0.307992D+01 -0.787973D+00 -0.789554D+00
      3   0.676000D+00 -0.307992D+01 -0.659752D+01  0.458505D+00  0.463329D+00
               201           202           203           204           205 
      1   0.458505D+00 -0.313868D+01 -0.170238D+01  0.287110D-01  0.323761D+01
      2   0.463329D+00 -0.170238D+01 -0.944123D+01  0.272133D+01  0.580495D+00
      3  -0.162507D+01  0.287110D-01  0.272133D+01 -0.253469D+01 -0.104254D+01
               206           207           208           209           210 
      1   0.580495D+00 -0.104254D+01 -0.216561D+01  0.974898D+00  0.235673D+01
      2   0.201673D+01 -0.285378D+01  0.974898D+00 -0.830640D+00 -0.137176D+01
      3  -0.285378D+01  0.753521D+01  0.235673D+01 -0.137176D+01 -0.415315D+01
               211           212           213           214           215 
      1   0.935572D+00 -0.493846D+00 -0.614749D+00  0.230911D+01 -0.357902D+00
      2  -0.493846D+00  0.676177D+00  0.468342D+00 -0.357902D+00  0.772415D+00
      3  -0.614749D+00  0.468342D+00  0.545570D-02 -0.228589D+01  0.297798D+00
               216           217           218           219           220 
      1  -0.228589D+01  0.367129D+00 -0.363052D+00  0.235114D-02 -0.111026D+01
      2   0.297798D+00 -0.363052D+00  0.324943D+00 -0.356844D-01  0.877363D+00
      3   0.394864D+01  0.235114D-02 -0.356844D-01 -0.821599D+00 -0.120533D+01
               221           222           223           224           225 
      1   0.877363D+00 -0.120533D+01  0.653182D+00 -0.230340D+00  0.467317D-01
      2  -0.329092D+01  0.332094D+01 -0.230340D+00  0.224316D+01 -0.259826D+01
      3   0.332094D+01 -0.444652D+01  0.467317D-01 -0.259826D+01  0.426891D+01
               226           227           228           229           230 
      1  -0.118327D+01 -0.547932D+00 -0.745343D+00 -0.163581D+01 -0.852374D-01
      2  -0.547932D+00 -0.447745D+00  0.197034D+00 -0.852374D-01  0.789411D+00
      3  -0.745343D+00  0.197034D+00 -0.946124D+00 -0.187577D-01 -0.655836D+00
               231           232           233           234           235 
      1  -0.187577D-01 -0.386441D+01 -0.659857D+00  0.899866D+00  0.288839D+00
      2  -0.655836D+00 -0.659857D+00 -0.124097D+01  0.116229D+01  0.847375D+00
      3  -0.553810D+00  0.899866D+00  0.116229D+01 -0.549178D+01  0.137370D+00
               236           237           238           239           240 
      1   0.847375D+00  0.137370D+00  0.315192D+01  0.196848D+01 -0.747808D+00
      2   0.778806D+00 -0.758795D-01  0.196848D+01  0.869455D+01 -0.125128D+01
      3  -0.758795D-01 -0.248333D+00 -0.747808D+00 -0.125128D+01  0.908764D+00
               241           242           243           244           245 
      1   0.154825D+00 -0.573373D-01  0.133374D+00  0.584926D+01  0.205046D+01
      2  -0.573373D-01  0.759658D-01  0.904860D+00  0.205046D+01  0.129108D+01
      3   0.133374D+00  0.904860D+00 -0.469015D+00 -0.324698D+01 -0.102081D+01
               246           247           248           249           250 
      1  -0.324698D+01  0.252208D+01  0.183628D+01 -0.116388D+01 -0.592610D+01
      2  -0.102081D+01  0.183628D+01  0.121365D+01 -0.132968D+01 -0.180440D+01
      3   0.249084D+01 -0.116388D+01 -0.132968D+01  0.135712D+01  0.482591D+01
               251           252           253           254           255 
      1  -0.180440D+01  0.482591D+01  0.419577D+01  0.194216D+01  0.173139D+01
      2  -0.173816D+01  0.215543D+01  0.194216D+01  0.127202D+01  0.616689D+00
      3   0.215543D+01 -0.471421D+01  0.173139D+01  0.616689D+00  0.151447D+01
               256           257           258           259           260 
      1   0.293508D+01  0.182068D+01  0.748077D+00  0.449191D+01  0.160358D+01
      2   0.182068D+01  0.156386D+01  0.103496D+01  0.160358D+01  0.198168D+01
      3   0.748077D+00  0.103496D+01  0.112838D+01  0.290667D+01  0.165874D+01
               261           262           263           264           265 
      1   0.290667D+01 -0.226684D+01 -0.137434D+01 -0.945120D+00 -0.199679D+01
      2   0.165874D+01 -0.137434D+01 -0.455720D+00 -0.183816D+00 -0.782736D-01
      3   0.290518D+01 -0.945120D+00 -0.183816D+00 -0.118538D+01  0.148852D-01
               266           267           268           269           270 
      1  -0.782736D-01  0.148852D-01 -0.182504D+01 -0.143768D+00 -0.182014D+00
      2  -0.838550D+00 -0.886678D+00 -0.143768D+00 -0.171463D+01 -0.149952D+01
      3  -0.886678D+00 -0.114620D+01 -0.182014D+00 -0.149952D+01 -0.366447D+01
               271           272           273           274           275 
      1   0.128688D+02 -0.407592D+01 -0.161921D+01 -0.413224D+01  0.286902D+01
      2  -0.407592D+01  0.243954D+01  0.364018D+00  0.286902D+01 -0.182050D+01
      3  -0.161921D+01  0.364018D+00  0.858892D+00  0.572250D+00 -0.393200D+00
               276           277           278           279           280 
      1   0.572250D+00 -0.515032D+00  0.259022D+00  0.119173D+01  0.822563D+01
      2  -0.393200D+00  0.259022D+00 -0.172413D+00 -0.744172D+00 -0.128014D+01
      3  -0.621819D+00  0.119173D+01 -0.744172D+00 -0.375111D+00  0.373857D+01
               281           282           283           284           285 
      1  -0.128014D+01  0.373857D+01  0.303266D+00  0.131864D+01 -0.213561D-01
      2   0.811771D+00 -0.817098D+00  0.131864D+01 -0.888043D+00  0.747389D+00
      3  -0.817098D+00  0.304580D+01 -0.213561D-01  0.747389D+00  0.325048D+00
               286           287           288           289           290 
      1   0.723155D+01 -0.181402D+01  0.475538D+01 -0.265942D+00 -0.103234D+01
      2  -0.181402D+01  0.117501D+01 -0.108382D+01 -0.103234D+01 -0.470760D+00
      3   0.475538D+01 -0.108382D+01  0.500341D+01  0.202577D-01  0.153705D+00
               291           292           293           294           295 
      1   0.202577D-01 -0.337810D+01  0.209341D+01 -0.249151D+00  0.389160D+00
      2   0.153705D+00  0.209341D+01 -0.738100D+01  0.944078D+00 -0.334356D+00
      3   0.503150D-01 -0.249151D+00  0.944078D+00 -0.102975D+01  0.774516D+00
               296           297           298           299           300 
      1  -0.334356D+00  0.774516D+00  0.264140D+01  0.311499D+01  0.962818D+00
      2   0.165446D+00 -0.671601D+00  0.311499D+01  0.630150D+01  0.113084D+01
      3  -0.671601D+00  0.452667D+00  0.962818D+00  0.113084D+01  0.660779D+00
               301           302           303           304           305 
      1   0.238528D+01  0.293950D+01  0.705918D+00  0.527788D+00  0.631824D+00
      2   0.293950D+01  0.107328D+02  0.162734D+01  0.631824D+00  0.794496D+00
      3   0.705918D+00  0.162734D+01  0.119968D+01  0.415619D+00  0.171689D+01
               306           307           308           309           310 
      1   0.415619D+00 -0.311157D+01  0.131779D+01  0.145535D+01  0.540006D+00
      2   0.171689D+01  0.131779D+01 -0.151996D+01 -0.107430D+01 -0.650853D+00
      3   0.695423D+00  0.145535D+01 -0.107430D+01 -0.179980D+01 -0.473134D+00
               311           312           313           314           315 
      1  -0.650853D+00 -0.473134D+00  0.176756D+01 -0.989013D+00 -0.150333D+01
      2   0.179744D+01  0.115324D+01 -0.989013D+00  0.231251D+01  0.153054D+01
      3   0.115324D+01  0.855305D+00 -0.150333D+01  0.153054D+01  0.271308D+01
               316           317           318           319           320 
      1   0.312904D+01  0.130719D+01 -0.149231D+01  0.474992D+00  0.576734D+00
      2   0.130719D+01  0.144985D+01 -0.106885D+01  0.576734D+00  0.161321D+01
      3  -0.149231D+01 -0.106885D+01  0.189786D+01 -0.430401D+00 -0.108162D+01
               321           322           323           324           325 
      1  -0.430401D+00 -0.168077D+01 -0.102505D+01  0.151227D+01 -0.245756D+01
      2  -0.108162D+01 -0.102505D+01 -0.218965D+01  0.149639D+01  0.293871D+01
      3   0.777773D+00  0.151227D+01  0.149639D+01 -0.274709D+01 -0.988847D+00
               326           327           328           329           330 
      1   0.293871D+01 -0.988847D+00  0.224063D+01 -0.275560D+01  0.744389D+00
      2  -0.621998D+01  0.123929D+01 -0.275560D+01  0.106878D+02 -0.177902D+01
      3   0.123929D+01 -0.686655D+00  0.744389D+00 -0.177902D+01  0.126470D+01
               331           332           333           334           335 
      1  -0.557148D+00  0.678849D+00 -0.401521D+00  0.270814D+01  0.992541D+00
      2   0.678849D+00 -0.991338D+00  0.174787D+01  0.992541D+00  0.770445D+00
      3  -0.401521D+00  0.174787D+01 -0.776882D+00 -0.246783D+01 -0.123542D+01
               336           337           338           339           340 
      1  -0.246783D+01  0.933624D+00  0.504207D+00 -0.478900D+00 -0.235878D+01
      2  -0.123542D+01  0.504207D+00  0.630011D+00 -0.424123D+00 -0.322301D+00
      3   0.410382D+01 -0.478900D+00 -0.424123D+00 -0.207502D+00  0.226312D+01
               341           342           343           344           345 
      1  -0.322301D+00  0.226312D+01 -0.302762D+00 -0.425646D+00 -0.137241D+00
      2  -0.743604D+00  0.147239D+00 -0.425646D+00 -0.337370D+00 -0.454970D-01
      3   0.147239D+00 -0.362175D+01 -0.137241D+00 -0.454970D-01  0.865865D+00
               346           347           348           349           350 
      1  -0.111997D+01 -0.774529D+00 -0.111855D+01 -0.620671D+00 -0.200078D+00
      2  -0.774529D+00 -0.328742D+01 -0.330338D+01 -0.200078D+00 -0.230580D+01
      3  -0.111855D+01 -0.330338D+01 -0.448900D+01  0.362752D-01 -0.261163D+01
               351           352           353           354           355 
      1   0.362752D-01 -0.482162D+01  0.283676D+01  0.579264D-01  0.547684D+01
      2  -0.261163D+01  0.283676D+01 -0.322986D+01  0.344261D+00 -0.501363D+01
      3  -0.407430D+01  0.579264D-01  0.344261D+00 -0.312236D+00 -0.416923D+00
               356           357           358           359           360 
      1  -0.501363D+01 -0.416923D+00 -0.217475D+01  0.174394D+01 -0.464832D+00
      2   0.772933D+01 -0.681865D-01  0.174394D+01 -0.211346D+01  0.119233D+01
      3  -0.681865D-01  0.106842D+01 -0.464832D+00  0.119233D+01 -0.580797D+00
               361           362           363           364           365 
      1   0.252219D+01  0.608526D+00  0.722794D+00  0.167486D+01 -0.489105D+00
      2   0.608526D+00  0.660351D+00  0.790083D+00 -0.489105D+00  0.230018D+01
      3   0.722794D+00  0.790083D+00  0.104792D+01 -0.480156D-02  0.132568D+01
               366           367           368           369           370 
      1  -0.480156D-02  0.234154D+01  0.574549D+00 -0.355135D-01 -0.773345D+01
      2   0.132568D+01  0.574549D+00  0.183759D+01  0.227639D+01  0.244133D+01
      3   0.125448D+01 -0.355135D-01  0.227639D+01  0.372318D+01  0.382529D+01
               371           372           373           374           375 
      1   0.244133D+01  0.382529D+01  0.377147D+01 -0.219057D+01 -0.224369D+01
      2  -0.147530D+01 -0.167806D+01 -0.219057D+01  0.200619D+01  0.174555D+01
      3  -0.167806D+01 -0.291409D+01 -0.224369D+01  0.174555D+01  0.173359D+01
               376           377           378           379           380 
      1   0.386446D+01 -0.156556D+01 -0.352069D+01  0.237303D+01 -0.973385D+00
      2  -0.156556D+01  0.122187D+01  0.140193D+01 -0.973385D+00  0.797991D+00
      3  -0.352069D+01  0.140193D+01  0.357299D+01  0.840633D+00 -0.484990D+00
               381           382           383           384           385 
      1   0.840633D+00 -0.196859D+01  0.607575D+00 -0.528403D+00  0.166418D+01
      2  -0.484990D+00  0.607575D+00 -0.189983D+01  0.123575D+01 -0.465319D+00
      3   0.534432D+00 -0.528403D+00  0.123575D+01 -0.191460D+01 -0.333435D+00
               386           387           388           389           390 
      1  -0.465319D+00 -0.333435D+00 -0.106551D+02 -0.355742D+01  0.119303D+01
      2   0.131532D+01 -0.118386D+01 -0.355742D+01 -0.204956D+01  0.571228D+00
      3  -0.118386D+01  0.322300D+01  0.119303D+01  0.571228D+00 -0.933425D+00
               391           392           393           394           395 
      1  -0.605238D+01 -0.336482D+01  0.105953D+01  0.299759D+01  0.141485D+01
      2  -0.336482D+01 -0.255045D+01  0.295235D+00  0.141485D+01  0.608595D+00
      3   0.105953D+01  0.295235D+00 -0.522883D+00 -0.171084D+01 -0.452773D+00
               396           397           398           399           400 
      1  -0.171084D+01 -0.451611D+01  0.128816D+01 -0.179083D+01  0.337745D+01
      2  -0.452773D+00  0.128816D+01 -0.110060D+01  0.788280D+00 -0.241222D+01
      3   0.822387D+00 -0.179083D+01  0.788280D+00 -0.113853D+01  0.191911D+01
               401           402           403           404           405 
      1  -0.241222D+01  0.191911D+01 -0.386146D+01  0.162917D+01 -0.227256D+01
      2   0.249343D+01 -0.136528D+01  0.162917D+01 -0.139443D+01  0.136625D+01
      3  -0.136528D+01  0.193111D+01 -0.227256D+01  0.136625D+01 -0.284282D+01
               406           407           408           409           410 
      1   0.435105D+00 -0.100249D+01  0.108560D+01 -0.374559D+01 -0.200552D+01
      2  -0.100249D+01 -0.728430D-01 -0.460065D-01 -0.200552D+01 -0.498749D+01
      3   0.108560D+01 -0.460065D-01  0.109705D+00 -0.485117D+00  0.626316D+00
               411           412           413           414           415 
      1  -0.485117D+00  0.332499D+01  0.395715D-01 -0.227208D+00 -0.339437D+01
      2   0.626316D+00  0.395715D-01  0.155814D+01 -0.112962D+01 -0.134394D+01
      3  -0.105054D+01 -0.227208D+00 -0.112962D+01  0.566412D+00 -0.221133D+01
               416           417           418           419           420 
      1  -0.134394D+01 -0.221133D+01 -0.227469D+01 -0.203145D+01 -0.149070D+01
      2  -0.112138D+01 -0.133646D+01 -0.203145D+01 -0.251301D+01 -0.177229D+01
      3  -0.133646D+01 -0.189697D+01 -0.149070D+01 -0.177229D+01 -0.184132D+01
               421           422           423 
      1  -0.488560D+01 -0.239177D+01 -0.372065D+01
      2  -0.239177D+01 -0.239191D+01 -0.310861D+01
      3  -0.372065D+01 -0.310861D+01 -0.568276D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.697238D+01  0.923279D-02 -0.366808D+01  0.277236D+01  0.687416D+01
      2   0.343132D+01  0.296140D+01  0.105715D+02  0.966135D+01  0.494933D+01
      3  -0.150670D+02  0.348699D+01  0.250694D+01  0.138080D+02  0.196116D+02
                 6             7             8             9            10 
      1  -0.504142D+01  0.244798D+01  0.701373D+01 -0.120435D+02 -0.618839D-01
      2   0.382622D+01 -0.119863D+02 -0.424054D+01  0.239099D+02 -0.219401D+02
      3  -0.200286D+01  0.351941D+01  0.148211D+01  0.400471D+00  0.122516D+02
                11            12            13            14            15 
      1   0.156574D+02 -0.111559D+01  0.283848D+02 -0.534715D+01 -0.466642D+01
      2  -0.139636D+02  0.188046D+01 -0.392096D+02 -0.652981D+01  0.140205D+02
      3  -0.124745D+02  0.572325D+01  0.295482D+01  0.111984D+02 -0.109463D+02
                16            17            18            19            20 
      1   0.177626D+01 -0.980103D+01  0.100019D+02 -0.918215D+01  0.123124D+02
      2   0.103366D+02  0.254777D+01 -0.186663D+02 -0.288065D+02  0.203120D+01
      3  -0.650436D+01  0.676309D+01  0.261883D+01  0.180227D+02 -0.108499D+02
                21            22            23            24            25 
      1  -0.864914D+01 -0.332548D+01 -0.123217D+01 -0.206301D+01  0.783181D+01
      2  -0.642099D+01  0.327707D+02 -0.106581D+02 -0.159940D+02 -0.356739D+02
      3   0.737812D+01 -0.154928D+01  0.111220D+01  0.134851D+02  0.245161D+01
                26            27            28            29            30 
      1  -0.607923D+01 -0.424329D+00 -0.744309D+00  0.204962D+01 -0.268270D+01
      2  -0.691328D+01  0.711873D+01  0.590555D+00  0.302045D+00 -0.508256D+01
      3   0.147270D+02 -0.642082D+01  0.220868D+01 -0.517395D+01  0.141871D+00
                31            32            33            34            35 
      1   0.646696D+00  0.103035D+02 -0.543815D+01 -0.825123D+01  0.123097D+01
      2  -0.553841D+01  0.452617D+01 -0.462447D+01 -0.157217D+02 -0.305066D+01
      3   0.133106D+02 -0.269488D+02 -0.106344D+01  0.133183D+01 -0.577289D+01
                36            37            38            39            40 
      1  -0.371645D+00 -0.389055D+01  0.503199D+00  0.236946D+01  0.598787D+00
      2  -0.193887D+00 -0.213188D+01  0.335892D+01  0.174955D+02  0.300425D+01
      3   0.810235D+01 -0.202110D+02 -0.257101D+01 -0.403302D-01  0.511580D+00
                41            42            43            44            45 
      1   0.223127D+01 -0.145690D+01  0.307515D+01  0.321985D+01 -0.192098D+01
      2   0.516830D+01  0.100669D+02  0.179474D+02  0.105447D+02  0.633965D+01
      3   0.127321D+02 -0.552013D+01 -0.233772D+01 -0.507321D+01 -0.120853D+02
                46            47            48            49            50 
      1   0.475837D+01 -0.267649D+00  0.352863D+01 -0.215710D+01 -0.322068D+01
      2   0.502170D+01 -0.114530D+01 -0.185506D+02 -0.126307D+01 -0.402909D+01
      3   0.234944D+02 -0.353778D+01 -0.191976D+01 -0.121598D+01 -0.135909D+02
                51            52            53            54            55 
      1   0.265957D+01  0.686477D+01  0.709917D+01  0.110106D+01  0.155696D+01
      2  -0.122755D+02 -0.379149D+02 -0.159788D+02  0.121727D-01 -0.117180D+02
      3   0.465290D+01  0.222771D+00  0.339885D+01  0.805360D+01  0.186766D+02
                56            57            58            59            60 
      1  -0.111237D+02  0.358713D+01 -0.931952D+01 -0.413936D+01 -0.314207D+01
      2  -0.273474D+01  0.156990D+02  0.177486D+02  0.471070D+01 -0.514971D+01
      3   0.604478D+01 -0.473031D+01  0.113198D+01  0.300691D+01  0.373396D+01
                61            62            63            64            65 
      1  -0.141380D+02  0.921457D+01 -0.778914D+01 -0.632895D+01 -0.625911D+01
      2   0.881914D+01  0.555123D+01  0.594479D+01  0.230127D+02  0.697403D+01
      3   0.331399D+01 -0.625139D+01  0.924909D+01 -0.156481D+02 -0.828572D+00
                66            67            68            69            70 
      1   0.877655D-01  0.241549D+01 -0.122258D+02  0.542435D+01 -0.616372D+01
      2   0.408829D+01 -0.292579D+01  0.597104D+01  0.501014D+01  0.284399D+01
      3  -0.697798D+00  0.475759D+01  0.768712D+01 -0.126409D+02 -0.136168D+01
                71            72            73            74            75 
      1   0.946052D+01 -0.903520D+01  0.255078D+02 -0.149770D+02  0.960019D+01
      2   0.816467D+01  0.129891D+02  0.454276D+01 -0.242282D+01  0.342771D+01
      3  -0.667489D+01 -0.421981D+00 -0.269183D+02  0.404944D+01 -0.735093D+01
                76            77            78            79            80 
      1   0.606707D+01  0.414751D+02  0.309412D+01  0.904716D+01  0.657502D+01
      2  -0.813459D+01  0.639609D+01  0.596462D+01  0.270649D+01  0.569083D+01
      3  -0.131915D+01 -0.344760D+02 -0.538724D+01 -0.113104D+02  0.376812D+01
                81            82            83            84            85 
      1   0.171427D+02  0.300645D+01  0.310461D-01 -0.118049D+02 -0.852356D+01
      2  -0.585025D+01 -0.308827D+01  0.373017D+01  0.584433D+01  0.203883D+01
      3  -0.152621D+02  0.758968D+01 -0.164797D+02 -0.710444D+01 -0.141358D+00
                86            87            88            89            90 
      1  -0.137779D+02 -0.528388D+01 -0.153076D+02  0.702064D+01 -0.878167D+01
      2  -0.690680D+00  0.740154D+00  0.145417D+01  0.182378D+01 -0.301571D+01
      3  -0.179744D+01  0.427355D+01 -0.685092D+01 -0.100837D+00  0.135507D+02
                91            92            93            94            95 
      1  -0.257760D+01  0.783194D+00  0.118608D+02 -0.760390D+01  0.131261D+02
      2  -0.237588D+01 -0.401654D+01  0.545093D+01 -0.670161D+00 -0.126760D+01
      3  -0.791622D+01 -0.167723D+02  0.739534D+01 -0.958898D-03  0.262624D+01
                96            97            98            99           100 
      1  -0.548280D+01  0.157454D+02  0.724098D+01  0.912067D+01 -0.257908D+02
      2  -0.804832D+00  0.488882D+00 -0.226347D+01 -0.303494D+01  0.118558D+02
      3   0.348416D+01  0.584770D+01 -0.615313D+00 -0.133870D+02  0.295404D+02
               101           102           103           104           105 
      1  -0.128972D+02 -0.924614D+01  0.446764D+01 -0.405609D+02  0.434847D+01
      2   0.426689D+01  0.291264D+01  0.587383D+01  0.798345D+01 -0.511513D+01
      3   0.268442D+01  0.569476D+01 -0.147104D+01  0.342322D+02 -0.536110D+01
               106           107           108           109           110 
      1  -0.949384D+01  0.387394D+01 -0.192393D+02  0.397105D+01  0.147276D+02
      2   0.270114D+01 -0.632673D+01 -0.306521D+01 -0.233850D+02  0.117262D+02
      3   0.125074D+02  0.485694D+01  0.169382D+02 -0.121445D+02 -0.141296D+02
               111           112           113           114           115 
      1  -0.691374D+00  0.299363D+02  0.252448D+01 -0.389123D+01 -0.392701D+01
      2  -0.170336D+01  0.325241D+02 -0.112518D+02 -0.125618D+02  0.916588D+01
      3  -0.559612D+01 -0.653478D+00 -0.126082D+02 -0.737791D+01  0.265127D+01
               116           117           118           119           120 
      1  -0.937511D+01 -0.103643D+02  0.119079D+02  0.125774D+02  0.750120D+01
      2  -0.176567D+01 -0.183705D+02 -0.309865D+02 -0.590416D+01 -0.609540D+01
      3   0.623158D+01 -0.258714D+01 -0.159068D+02 -0.121532D+02 -0.559354D+01
               121           122           123           124           125 
      1  -0.546823D+01  0.213206D+01 -0.230651D+01 -0.101086D+02 -0.614909D+01
      2  -0.305454D+02 -0.747271D+01  0.193738D+02 -0.335877D+02  0.808478D+01
      3   0.210483D+01  0.180577D+01  0.123683D+02  0.796118D+00  0.146131D+02
               126           127           128           129           130 
      1   0.225898D+01 -0.600631D+01 -0.124451D+02 -0.288343D+01 -0.106747D+02
      2   0.989257D+01 -0.143192D+02  0.466360D+01  0.190495D+02 -0.156714D+02
      3   0.559413D+01 -0.145164D+02  0.749669D+01  0.461991D+01  0.271796D+01
               131           132           133           134           135 
      1   0.351460D+01 -0.368188D+01  0.166315D+02  0.845812D+01  0.840571D+01
      2   0.478677D+01  0.504761D+01  0.648188D+01 -0.653573D+01  0.609749D+01
      3  -0.233929D+01  0.274717D+01 -0.535341D+01 -0.584206D+01 -0.840514D+01
               136           137           138           139           140 
      1   0.620908D+01 -0.581741D+01  0.524069D+00  0.512791D+01  0.145581D+02
      2   0.226950D+02 -0.675023D+01  0.374549D+01  0.381492D+01  0.508544D+01
      3   0.140749D+02 -0.107901D+01  0.508379D+00  0.285302D+01 -0.101489D+02
               141           142           143           144           145 
      1   0.599249D+01  0.727917D+01  0.110445D+02  0.100178D+02  0.428015D+01
      2  -0.864481D+01  0.302269D+01 -0.859051D+01  0.130542D+02  0.539369D+01
      3  -0.122643D+02  0.944518D+00 -0.677233D+01 -0.368117D+00  0.105565D+01
               146           147           148           149           150 
      1   0.501915D+01  0.253867D+01  0.518984D+01  0.275649D+00  0.162092D+00
      2   0.426645D+01  0.913002D+01 -0.704511D+01  0.312912D+01  0.802964D+01
      3   0.268476D+01 -0.100712D+02  0.132584D+02 -0.613699D+01 -0.263953D+01
               151           152           153           154           155 
      1  -0.348323D+01  0.103465D+02  0.589076D+01 -0.393280D+01 -0.265739D+01
      2  -0.563371D+01  0.162072D+02  0.157212D+02  0.979520D+01 -0.127309D+02
      3  -0.114869D+02 -0.575045D+01 -0.111458D+02 -0.148015D+02 -0.617954D+01
               156           157           158           159           160 
      1   0.483382D+01 -0.519378D+01  0.153596D+01 -0.515542D+01  0.723824D+01
      2  -0.180375D+01 -0.176643D+02  0.797852D+01 -0.109165D+02 -0.675684D+01
      3   0.165020D+02 -0.461428D+01  0.518915D+01 -0.391694D+01  0.209218D+02
               161           162           163           164           165 
      1  -0.316657D+00  0.231427D+01  0.749849D+00 -0.133628D+01 -0.157865D+01
      2  -0.119867D+02  0.527071D+01 -0.267637D+01  0.175091D+02  0.370337D+01
      3  -0.431379D+01  0.743162D+01  0.168507D+02  0.666996D+01 -0.167617D+02
               166           167           168           169           170 
      1  -0.177788D+01 -0.123493D+01 -0.304121D+01 -0.335499D+01 -0.312633D-01
      2   0.278384D+02 -0.334356D+01  0.942762D+01 -0.457654D+01  0.999646D+01
      3   0.185999D+02 -0.389150D+01  0.559005D+01 -0.268924D+02  0.380834D+01
               171           172           173           174           175 
      1  -0.559396D+00 -0.172902D+01  0.277138D+01  0.553476D+00  0.236486D+01
      2  -0.328795D+01  0.607289D+01 -0.794133D+01 -0.492116D+01 -0.457960D+01
      3  -0.103833D+02  0.623170D+00 -0.949502D-01  0.898924D+01  0.118362D+02
               176           177           178           179           180 
      1  -0.987333D+01  0.134951D+01  0.541423D+01  0.119673D+02  0.274235D+01
      2   0.123424D+02 -0.717102D+01 -0.192420D+02 -0.132220D+02 -0.467015D+01
      3   0.140813D+02 -0.103731D+02  0.105967D+02 -0.916329D+01  0.107754D+02
               181           182           183           184           185 
      1   0.175108D+01  0.152940D+02  0.340465D+00 -0.218722D+02 -0.155771D+01
      2   0.475555D+02  0.838703D+00  0.274605D+02  0.277100D+01 -0.382689D+01
      3  -0.202102D+01 -0.186524D+02 -0.104713D+01  0.744442D+02 -0.123157D+01
               186           187           188           189           190 
      1  -0.483300D+02 -0.133092D+01  0.239887D+02 -0.929083D+00  0.252716D+01
      2  -0.491109D+00 -0.473090D+02  0.110947D+01 -0.212454D+02  0.262410D+01
      3   0.512473D+01 -0.321547D+01 -0.205318D+02  0.822646D+00 -0.111123D+02
               191           192           193           194           195 
      1  -0.560450D+01  0.365678D+00 -0.702442D+01  0.750055D+01 -0.922699D+01
      2   0.175111D+00  0.631443D+01  0.302644D+00  0.975356D+00 -0.262653D+01
      3  -0.960199D+01 -0.172500D+01  0.776843D+01  0.677818D+01  0.692162D+01
               196           197           198           199           200 
      1   0.627384D+00  0.106131D+02 -0.430846D+01 -0.391011D+01 -0.648351D+01
      2  -0.789745D+01  0.130360D-01  0.109920D+01  0.401802D+01 -0.634928D+00
      3  -0.331435D+01  0.522576D+01 -0.453971D+00  0.971401D+01 -0.109234D+02
               201           202           203           204           205 
      1  -0.906171D+00 -0.811249D+01 -0.599794D+01 -0.711123D+01 -0.296759D+00
      2   0.817953D+01 -0.175084D+01  0.166658D+01  0.305360D+01 -0.646549D+01
      3   0.293982D+01  0.411922D+01 -0.612062D+01  0.774491D+01  0.567976D+01
               206           207           208           209           210 
      1   0.117536D+02  0.367933D+01  0.175633D+01 -0.270725D+01  0.198485D+00
      2  -0.383270D+00  0.776145D+00  0.102876D+02 -0.443168D+01 -0.832033D+01
      3   0.662583D+01  0.755828D-01 -0.166009D+01  0.319607D-03  0.302904D+01
               211           212           213           214           215 
      1  -0.119679D+01  0.143257D+01  0.766086D+00  0.158321D+01  0.258102D+01
      2  -0.645704D+01  0.226887D+01  0.158202D+01 -0.124363D+02  0.848056D+00
      3   0.313290D+01 -0.699095D+00 -0.846211D+00  0.380073D+01  0.728035D+00
               216           217           218           219           220 
      1  -0.227282D+01 -0.101808D+01  0.179759D+01 -0.493378D+00  0.218212D+01
      2   0.922024D+01 -0.124356D+00  0.777672D+00 -0.106853D+01  0.248294D+01
      3  -0.229631D+01  0.107497D+01 -0.182789D+01 -0.186255D+00  0.120178D+01
               221           222           223           224           225 
      1  -0.852432D+01  0.527448D+01 -0.310946D+00  0.751926D+01 -0.473378D+01
      2   0.359951D+01 -0.467361D+01 -0.260464D+01 -0.475896D+01  0.736462D+01
      3   0.539376D+01 -0.563050D+01 -0.619490D+00 -0.497785D+01  0.494756D+01
               226           227           228           229           230 
      1   0.355428D+01  0.645432D-01  0.240484D+01 -0.550525D+00  0.103231D+01
      2  -0.789403D+01  0.130934D+00 -0.605678D+01 -0.302224D+01 -0.408617D+01
      3  -0.172405D+01  0.393308D+00 -0.272519D+01 -0.201018D+01 -0.251170D+01
               231           232           233           234           235 
      1   0.174897D+01 -0.188813D+01  0.103141D+01  0.127782D+02 -0.182991D+01
      2  -0.232854D+01 -0.487632D+01  0.449388D+01 -0.246792D+02  0.243089D+01
      3   0.279580D+01 -0.531450D+01  0.177816D+01 -0.298294D+01 -0.377427D+01
               236           237           238           239           240 
      1  -0.910286D+00  0.377014D+00  0.466642D+00 -0.709849D+01 -0.340538D+01
      2   0.354422D+00 -0.345961D+00 -0.381036D+00 -0.566899D+01  0.371504D+01
      3  -0.786256D+00  0.936500D+00  0.576807D+01 -0.283201D+02  0.191433D+01
               241           242           243           244           245 
      1   0.339198D+00 -0.115615D+01  0.322260D+00  0.165669D+01 -0.923637D+00
      2  -0.606697D+00  0.322478D+01 -0.254191D+01 -0.111197D+02 -0.363015D+01
      3   0.136491D+01 -0.137344D+01 -0.319802D+01 -0.385926D+01 -0.584740D+01
               246           247           248           249           250 
      1  -0.292880D+01  0.566585D+00  0.207073D+00 -0.151967D+01 -0.494629D+01
      2   0.123051D+02 -0.353088D+01 -0.532607D+01  0.666976D+01  0.172960D+02
      3   0.148725D+01 -0.406467D+01 -0.394389D+01  0.490199D+01  0.337125D+00
               251           252           253           254           255 
      1   0.129806D+01  0.446574D+01 -0.340247D+01 -0.100041D+01 -0.260078D+01
      2   0.981607D+01 -0.214585D+02  0.978867D+01  0.401443D+01  0.101094D+02
      3   0.834501D+01 -0.487259D+01 -0.556970D+01 -0.604056D+01 -0.601380D+00
               256           257           258           259           260 
      1  -0.185451D+01 -0.173057D+01 -0.343509D+01 -0.394151D+01 -0.148534D+01
      2   0.512580D+01  0.627793D+01  0.663073D+01  0.150211D+02  0.881250D+01
      3  -0.300975D+01 -0.584949D+01 -0.463349D+01 -0.720064D+00 -0.103871D+02
               261           262           263           264           265 
      1  -0.533694D+01  0.148150D+01  0.137943D+01 -0.111637D+01  0.542287D+00
      2   0.180228D+02 -0.107028D+02 -0.402436D+01 -0.806994D+01 -0.295691D+01
      3  -0.462825D+01  0.120811D+02  0.585540D+01  0.268825D+01  0.718788D+01
               266           267           268           269           270 
      1  -0.261785D+00 -0.126218D+01  0.844065D-01  0.232860D+01 -0.266762D+01
      2  -0.592179D+01 -0.597688D+01 -0.100194D+02 -0.821442D+01 -0.200782D+02
      3   0.557468D+01  0.531750D+01  0.518059D+01  0.929790D+01  0.874997D+01
               271           272           273           274           275 
      1   0.807438D+00 -0.213230D+01  0.157812D+01 -0.947769D+00  0.744824D+00
      2  -0.981460D+00 -0.519940D+00  0.630487D+01 -0.419156D-01 -0.476545D+00
      3   0.947474D+01 -0.129783D+02 -0.440824D+00 -0.847798D+01  0.712976D+01
               276           277           278           279           280 
      1  -0.149043D+01  0.401929D+00  0.366700D+00  0.384286D-01  0.276904D+01
      2  -0.404075D+01  0.324137D+01 -0.368510D+01 -0.139030D+01  0.181745D+01
      3   0.123793D+01 -0.581986D+00  0.430468D+00  0.339914D+01 -0.443198D+01
               281           282           283           284           285 
      1   0.430583D+00  0.405947D+01  0.121282D+01 -0.132213D+00  0.581111D+00
      2  -0.932982D+00  0.101661D+02 -0.134312D+01  0.979484D+00  0.193819D+01
      3  -0.418359D+01 -0.129546D+01 -0.532127D+01  0.301964D+01 -0.299743D+01
               286           287           288           289           290 
      1   0.386405D+01  0.242472D+01  0.535831D+01 -0.254740D+01 -0.227355D+01
      2   0.684701D+01 -0.119419D+01  0.144094D+02  0.136084D+01 -0.942651D-01
      3  -0.638241D+00 -0.395569D+01 -0.108072D+01  0.727122D+01  0.523314D+01
               291           292           293           294           295 
      1  -0.612118D+00  0.147489D+01 -0.846900D+01 -0.391539D+01 -0.804110D+00
      2  -0.403023D+00  0.298586D+01 -0.128708D+01 -0.448524D+01 -0.106154D+01
      3   0.140063D+01  0.236034D+00  0.329517D+02 -0.260091D+01  0.319008D+01
               296           297           298           299           300 
      1  -0.135929D+00 -0.213158D+01 -0.527652D+00  0.452237D+01 -0.313187D+01
      2  -0.286825D+01 -0.148203D+01 -0.262384D+01 -0.155427D+01  0.694613D+00
      3   0.179116D+01  0.388963D+01  0.113095D+02  0.593153D+01  0.367163D+01
               301           302           303           304           305 
      1  -0.129328D+01  0.609658D+01 -0.660204D+01 -0.134039D+01 -0.437430D+01
      2  -0.220545D+01 -0.415625D+00  0.636153D+00 -0.154272D+01  0.448784D+00
      3   0.115037D+02  0.561908D+01  0.323852D+01  0.227872D+01  0.145572D+01
               306           307           308           309           310 
      1  -0.276461D+00 -0.458145D+01  0.142475D+01  0.780790D+01  0.144915D+01
      2   0.836304D+00  0.810562D+01 -0.128722D+01 -0.193989D+01  0.469121D+00
      3   0.575273D+00 -0.170490D+02  0.359612D+01  0.643403D+01  0.304125D+01
               311           312           313           314           315 
      1  -0.388339D+01 -0.216206D+01  0.542009D+01  0.876402D-02 -0.822721D+01
      2   0.130882D+01  0.602336D+00 -0.593495D+01  0.196427D+01  0.281818D+01
      3  -0.239397D+01 -0.238663D+01  0.880296D+01 -0.451654D+01 -0.740554D+01
               316           317           318           319           320 
      1   0.436817D+01  0.125838D+01 -0.804123D+01  0.130840D+01  0.384698D+01
      2   0.713599D+01  0.122169D+01 -0.144778D+01 -0.540363D+00  0.819908D+00
      3   0.164352D+02  0.360612D+01 -0.636370D+01  0.281979D+01  0.183500D+01
               321           322           323           324           325 
      1  -0.197608D+01 -0.503311D+01 -0.120897D+00  0.821647D+01  0.100874D+01
      2  -0.488689D+00 -0.517978D+01 -0.198652D+01  0.245580D+01 -0.269510D+01
      3  -0.207153D+01 -0.783741D+01 -0.438539D+01  0.711299D+01 -0.110420D+02
               326           327           328           329           330 
      1   0.434043D+01  0.275913D+01 -0.160155D+01 -0.572131D+01 -0.665721D+01
      2   0.123205D+01  0.667435D+00  0.252712D+01 -0.331557D+00 -0.426938D+00
      3   0.595319D+01 -0.364970D+01  0.112444D+02 -0.610244D+01  0.361704D+01
               331           332           333           334           335 
      1   0.109074D+01 -0.429801D+01  0.602778D+00 -0.212138D+01 -0.262820D+01
      2  -0.178050D+01 -0.214927D+00  0.742364D+00  0.126481D+02  0.472457D+01
      3  -0.271708D+01  0.141475D+01 -0.690600D+00  0.202013D+01 -0.279707D+00
               336           337           338           339           340 
      1  -0.577305D+00 -0.115163D+01 -0.119981D+01  0.977949D+00 -0.170434D+01
      2  -0.748974D+01  0.652460D+01  0.205321D+01 -0.103953D+01 -0.123983D+02
      3  -0.278836D+01  0.272968D+01  0.492624D+00 -0.612467D+00 -0.332793D+01
               341           342           343           344           345 
      1   0.248722D+01  0.221396D+01  0.142247D+01  0.134598D+01  0.417093D+00
      2  -0.440774D+00  0.834068D+01 -0.165374D-01 -0.101193D+01 -0.121331D+01
      3   0.886234D+00  0.186052D+01 -0.118499D+01 -0.155110D+01  0.848765D-02
               346           347           348           349           350 
      1   0.165440D+01  0.890050D+01  0.544968D+01  0.679164D+00  0.758086D+01
      2  -0.278423D+01  0.354235D+01  0.457025D+01 -0.283040D+01  0.454598D+01
      3   0.150326D+01 -0.535245D+01 -0.528960D+01  0.466112D+00 -0.493702D+01
               351           352           353           354           355 
      1   0.495607D+01  0.144574D+01 -0.285821D+01  0.257049D+01 -0.221026D+01
      2   0.690672D+01  0.230540D+01 -0.215990D+01  0.297670D+01  0.125558D+01
      3  -0.505077D+01 -0.166774D+01 -0.581368D+01  0.200396D+01 -0.226391D+01
               356           357           358           359           360 
      1   0.455373D+01 -0.501960D+01  0.157504D+01 -0.302244D+01  0.191189D+01
      2  -0.204332D-01 -0.562135D+01  0.189293D+00 -0.494994D+01  0.118872D+01
      3   0.171255D+02 -0.129836D+01 -0.236713D+00 -0.421100D+01  0.418111D+01
               361           362           363           364           365 
      1  -0.505913D+00 -0.116804D+01 -0.274303D+01  0.950126D+00 -0.130431D+01
      2  -0.954628D+01 -0.543111D+01 -0.666171D+01 -0.463003D+00 -0.751004D+01
      3   0.117440D+02  0.481969D+01  0.533479D+01  0.448863D+01  0.738182D+01
               366           367           368           369           370 
      1  -0.290994D+01  0.114990D+01 -0.128680D+01 -0.807565D+01  0.536365D+00
      2  -0.595239D+01 -0.832820D+01 -0.114325D+02 -0.168964D+02 -0.663585D+01
      3   0.540584D+01  0.864055D+01  0.897363D+01  0.102456D+02  0.465514D+01
               371           372           373           374           375 
      1  -0.221542D+01  0.215875D+00 -0.573583D+00  0.241494D+01 -0.502348D-01
      2   0.486451D+01  0.110593D+02  0.489703D+01 -0.565881D+01 -0.594341D+01
      3  -0.724781D+01 -0.519661D+01 -0.432861D+01  0.912956D+01  0.606994D+01
               376           377           378           379           380 
      1  -0.702373D-01  0.252534D+01 -0.103136D+01 -0.291563D+01  0.333947D+01
      2   0.841466D+01 -0.409886D+01 -0.130856D+02 -0.114290D+02  0.583851D+01
      3  -0.460686D+01  0.548911D+01  0.376419D+01 -0.403593D+01  0.542558D+01
               381           382           383           384           385 
      1  -0.208797D+01  0.361089D+01 -0.619729D+01  0.221222D+01 -0.261968D+01
      2  -0.484525D+01  0.982623D+01 -0.925772D+01  0.115329D+02 -0.590024D+01
      3  -0.332353D+01  0.865837D+01 -0.126853D+02  0.615241D+01 -0.380229D+01
               386           387           388           389           390 
      1   0.498752D+01 -0.364892D+01  0.809495D+00 -0.501015D-02 -0.128958D+01
      2   0.789891D+01 -0.151527D+02 -0.822322D+01 -0.402799D+01  0.804641D+01
      3   0.644409D+01 -0.615637D+01 -0.155925D+02 -0.127959D+02  0.281649D+01
               391           392           393           394           395 
      1   0.125039D+01 -0.240663D+00 -0.169646D+01 -0.474806D+00  0.834676D+00
      2  -0.802159D+01 -0.223725D+01  0.455930D+01  0.805306D+01  0.243276D+01
      3  -0.136314D+02 -0.141597D+02  0.943647D+00  0.671301D+01  0.390263D+01
               396           397           398           399           400 
      1   0.103698D+01 -0.117832D+01  0.805801D+00 -0.130486D-01  0.867349D+00
      2  -0.588689D+01  0.791529D+01 -0.388405D+01  0.654185D+01 -0.833510D+01
      3  -0.180782D+01  0.599379D+01 -0.745668D+01  0.496612D+01 -0.103998D+02
               401           402           403           404           405 
      1  -0.125808D+01 -0.988605D+00 -0.345153D+00  0.233660D+01  0.187771D-01
      2   0.585055D+01 -0.115666D+02  0.734899D+01 -0.662728D+01  0.151841D+02
      3   0.155512D+02 -0.736923D+01  0.914362D+01 -0.921498D+01  0.750326D+01
               406           407           408           409           410 
      1   0.598837D+01 -0.301695D+01  0.115643D+01 -0.770895D+00  0.842740D+01
      2  -0.389368D+01  0.174359D+01 -0.135966D+01 -0.122695D+01 -0.889306D+01
      3  -0.671131D+01  0.285875D+01 -0.510669D+01  0.103411D+01 -0.216064D+02
               411           412           413           414           415 
      1  -0.612204D+01  0.836819D+00 -0.481573D+01  0.545834D+01 -0.207539D+01
      2   0.594341D+01  0.700388D+00  0.851424D+01 -0.872527D+01  0.450813D+01
      3   0.621126D+01 -0.886692D+01  0.102868D+02 -0.970615D+01 -0.136351D+01
               416           417           418           419           420 
      1  -0.736874D+00 -0.237457D+01  0.965965D-01  0.125183D+01 -0.177946D+01
      2   0.375711D+01  0.624478D+01  0.186512D+01  0.379151D+01  0.597851D+01
      3  -0.469275D+01 -0.308369D+01 -0.394331D+01 -0.856732D+01 -0.510425D+01
               421           422           423 
      1  -0.190165D+01  0.229069D+00 -0.566144D+01
      2   0.487513D+01  0.921166D+01  0.194632D+02
      3  -0.280618D+01 -0.790313D+01 -0.904510D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.315641D+02  0.837901D+01  0.974461D+01  0.150518D+02  0.157542D+02
      2   0.181777D+02 -0.605870D+01 -0.432657D+00 -0.141803D+02 -0.354977D+02
      3   0.133864D+02 -0.232031D+01 -0.931196D+01 -0.871522D+00  0.197435D+02
      4   0.124192D+01 -0.287199D+01  0.110229D+01 -0.754614D+01 -0.426095D+02
      5   0.616292D+01 -0.164884D+01  0.848737D+01  0.531369D+00  0.292095D+01
      6  -0.178175D+01  0.981567D-01  0.417714D+01  0.342673D+01  0.773534D+01
                 6             7             8             9            10 
      1   0.194998D+01  0.107761D+02  0.295516D+01  0.145951D+02  0.222137D+02
      2   0.508824D+01 -0.512827D+01 -0.135334D+01  0.374584D+01 -0.196544D+02
      3  -0.703822D+01 -0.564783D+01 -0.160182D+01 -0.183410D+02 -0.255930D+01
      4   0.567640D+01  0.849252D+01  0.280835D+01  0.429030D+01  0.282593D+02
      5   0.405092D+01  0.479866D+01  0.309371D+00  0.164546D+02 -0.149175D+01
      6   0.156036D+01  0.121219D+00  0.597817D+00  0.891711D+01 -0.363814D+01
                11            12            13            14            15 
      1   0.109832D+02 -0.372156D+01  0.468160D+02  0.728109D+01 -0.103289D+02
      2   0.960400D+01  0.167821D+01 -0.131298D+02 -0.117792D+02  0.379753D+01
      3  -0.205872D+02  0.204335D+01 -0.336862D+02  0.449815D+01  0.653136D+01
      4   0.135135D+02 -0.764751D+01  0.180590D+02  0.137878D+02 -0.798567D+00
      5  -0.462315D+01  0.904570D+01 -0.157842D+01 -0.245049D+01  0.218436D+01
      6   0.649383D+01 -0.130757D+01 -0.534278D+00 -0.256999D+01  0.571812D+01
                16            17            18            19            20 
      1  -0.217056D+02  0.411095D+01  0.831886D+01  0.632789D+02 -0.168458D+02
      2   0.468420D+01 -0.914241D+01 -0.303805D+01 -0.351843D+02  0.161548D+02
      3   0.170214D+02  0.503146D+01 -0.528081D+01 -0.280946D+02  0.690950D+00
      4  -0.244648D+01 -0.856405D+01  0.988970D+01 -0.275087D+02  0.106928D+02
      5   0.165567D+02  0.707539D+01 -0.903421D+01  0.404987D+02 -0.850988D+01
      6   0.623938D+01  0.230630D+01 -0.397089D+01 -0.982532D+01  0.564118D+01
                21            22            23            24            25 
      1   0.146085D+02 -0.490075D+02  0.553094D+01  0.106846D+02  0.248501D+02
      2  -0.177779D+02  0.159433D+02  0.864133D+01 -0.737642D+01 -0.648184D+01
      3   0.316948D+01  0.330642D+02 -0.141723D+02 -0.330815D+01 -0.183683D+02
      4  -0.744444D+01  0.543709D+01 -0.121273D+02  0.533073D+01  0.139825D+02
      5   0.135864D+02  0.551992D+01  0.733290D+01  0.918335D+00  0.143125D+01
      6  -0.494908D+01  0.661338D+01 -0.221773D+01 -0.173633D+01  0.822607D+00
                26            27            28            29            30 
      1   0.815102D+01 -0.350403D+01 -0.387198D+02  0.486720D+01 -0.204053D+02
      2  -0.782532D+01 -0.204797D+01  0.289251D+02 -0.919588D+01  0.157612D+02
      3  -0.325698D+00  0.555200D+01  0.979468D+01  0.432868D+01  0.464409D+01
      4  -0.763862D-01 -0.308945D+01  0.839925D+01  0.330121D+01  0.104769D+02
      5  -0.149577D+00  0.319655D+01 -0.407134D+02  0.104408D+02 -0.327831D+02
      6   0.947235D-01  0.884802D+01  0.992818D+01 -0.210213D+01  0.740753D+01
                31            32            33            34            35 
      1   0.234046D+01  0.927793D+01  0.271721D+01 -0.333640D+02  0.127911D+02
      2   0.540975D+01 -0.214199D+02 -0.135719D-01  0.266133D+02 -0.942383D+01
      3  -0.775021D+01  0.121419D+02 -0.270364D+01  0.675070D+01 -0.336731D+01
      4  -0.921559D+01  0.353519D+02 -0.385771D+01  0.158531D+02  0.493572D+01
      5   0.682240D+01 -0.629248D+01 -0.632027D+01 -0.541523D+02 -0.788106D+00
      6  -0.437611D+01  0.722726D+01  0.138859D+01  0.114426D+02 -0.428308D+00
                36            37            38            39            40 
      1  -0.348816D+02 -0.728744D+02  0.464270D+02  0.132743D+02  0.519417D+02
      2   0.258003D+02  0.324056D+02 -0.210076D+02 -0.353206D+01 -0.254560D+02
      3   0.908124D+01  0.404689D+02 -0.254194D+02 -0.974228D+01 -0.264857D+02
      4  -0.395148D-01  0.519861D+02 -0.119070D+02 -0.441300D+01 -0.167248D+02
      5  -0.231998D+02  0.143014D+02 -0.479694D+01  0.228550D+02 -0.250489D+01
      6   0.347762D+01 -0.779337D+01  0.195900D+01 -0.435261D+01  0.119566D+01
                41            42            43            44            45 
      1  -0.117960D+02  0.148685D+01  0.730141D+01  0.268335D+01  0.319923D+02
      2   0.796943D+01  0.807190D+00 -0.462089D+00  0.148390D+01 -0.155604D+02
      3   0.382655D+01 -0.229404D+01 -0.683932D+01 -0.416725D+01 -0.164319D+02
      4  -0.124055D+02  0.668289D+01 -0.107946D+01  0.650086D+01  0.152772D+02
      5   0.701104D+01  0.158988D+02  0.309161D+02  0.160748D+02  0.652127D+01
      6   0.350597D+00 -0.327523D+01 -0.265907D+01 -0.248477D+01 -0.501331D+01
                46            47            48            49            50 
      1   0.133975D+02 -0.299754D+02 -0.932857D+00 -0.450272D+02 -0.101335D+02
      2  -0.549995D+01  0.171368D+02 -0.534356D+01  0.249407D+02  0.978695D+01
      3  -0.789751D+01  0.128386D+02  0.627641D+01  0.200864D+02  0.346548D+00
      4  -0.330207D+02 -0.114872D+02  0.315512D+01 -0.174287D+02  0.137070D+02
      5   0.583284D+01  0.541444D+01 -0.389955D+02  0.458732D+01 -0.358683D+01
      6   0.576169D+01 -0.382192D-01 -0.997243D+01  0.125580D+01 -0.313205D+01
                51            52            53            54            55 
      1   0.355044D+00  0.813153D+01 -0.769746D+00 -0.515542D+02 -0.402472D+01
      2  -0.396182D+01 -0.126857D+02 -0.405314D+01  0.270289D+02 -0.941635D+01
      3   0.360677D+01  0.455419D+01  0.482288D+01  0.245253D+02  0.134411D+02
      4  -0.369938D+01  0.189939D+01 -0.479189D+01 -0.394971D+02  0.136834D+02
      5  -0.251567D+02 -0.670537D+02 -0.338050D+02  0.112948D+02  0.446376D+01
      6  -0.743034D+01 -0.186880D+02 -0.729823D+01  0.366962D+01 -0.298616D+01
                56            57            58            59            60 
      1   0.789843D+01 -0.209813D+02 -0.407040D+01 -0.148145D+01  0.405558D+01
      2  -0.869100D+01 -0.114787D+02 -0.282815D+01  0.778204D+01  0.204919D+01
      3   0.792570D+00  0.324600D+02  0.689854D+01 -0.630059D+01 -0.610477D+01
      4  -0.234041D+01 -0.276253D+00  0.498377D+01  0.378005D+01 -0.234071D+01
      5   0.467742D-01  0.246938D+02 -0.871899D+00 -0.107818D+01  0.719930D+01
      6   0.231294D+01  0.670186D+01 -0.494228D+00  0.377923D+01 -0.821983D+01
                61            62            63            64            65 
      1   0.327008D+01 -0.146236D+02 -0.421712D+01 -0.190671D+01 -0.604440D+01
      2  -0.207660D+02  0.843751D+01 -0.264768D+02  0.527773D+01 -0.332701D+01
      3   0.174960D+02  0.618605D+01  0.306940D+02 -0.337102D+01  0.937140D+01
      4  -0.111060D+02  0.388088D+01  0.574544D+00 -0.168365D+00  0.972671D+01
      5   0.262931D+02 -0.225335D+00  0.295907D+02  0.585512D+01 -0.278228D+01
      6  -0.427540D+01 -0.444118D+01  0.191196D+01 -0.142994D+01 -0.127622D+00
                66            67            68            69            70 
      1   0.514436D+01 -0.736864D+01  0.595989D+01 -0.242714D+02 -0.172907D+01
      2  -0.798570D+01  0.261849D+00 -0.161771D+02 -0.557066D+01 -0.500113D+01
      3   0.284134D+01  0.710679D+01  0.102172D+02  0.298421D+02  0.673020D+01
      4  -0.336257D+01  0.407094D+01  0.128508D+01  0.146691D+01 -0.392565D+01
      5   0.394769D+01  0.180263D+00  0.101507D+01  0.174677D+02  0.227359D+01
      6   0.131900D+02  0.379479D+01  0.513029D+01  0.151639D+02  0.366601D+01
                71            72            73            74            75 
      1  -0.209225D+02 -0.210632D+02 -0.206549D+01 -0.349697D+01 -0.474776D+01
      2   0.111139D+02 -0.145723D+02  0.117496D+02 -0.642056D+01  0.283141D+01
      3   0.980855D+01  0.356355D+02 -0.968408D+01  0.991754D+01  0.191634D+01
      4   0.858869D+01  0.815379D+01 -0.706721D+01 -0.199442D-01  0.158238D+02
      5   0.722789D+01  0.210027D+02  0.474212D+01  0.122908D+02 -0.107832D+01
      6   0.151015D+02  0.183268D+02  0.113556D+02  0.613256D+01  0.344029D+01
                76            77            78            79            80 
      1   0.124548D+02 -0.345895D+02 -0.938657D+01 -0.101234D+01  0.336206D+01
      2  -0.588401D+01  0.506091D+02 -0.103741D+01  0.885359D+00  0.183653D+01
      3  -0.657075D+01 -0.160197D+02  0.104240D+02  0.126978D+00 -0.519859D+01
      4   0.569912D+01  0.231808D+02  0.364395D+01  0.741196D+01  0.777193D+01
      5   0.194785D+01  0.529032D+01  0.482578D+01 -0.209448D+01  0.175339D+01
      6   0.152822D+01  0.227771D+02  0.972770D+01  0.623762D+01  0.892088D+01
                81            82            83            84            85 
      1  -0.859601D+01  0.854393D+01  0.166199D+02 -0.742065D+00  0.114984D+02
      2   0.972470D+01 -0.137977D+02 -0.384386D+02 -0.580021D+01 -0.230322D+02
      3  -0.112869D+01  0.525373D+01  0.218187D+02  0.654227D+01  0.115337D+02
      4  -0.254582D+01 -0.884911D+00 -0.217373D+02 -0.130550D+02 -0.140139D+02
      5   0.556999D+01  0.922295D+00 -0.780868D+01 -0.427258D+01 -0.348112D+01
      6   0.343479D+00 -0.163114D+02 -0.750913D+01  0.149284D+02 -0.267443D+01
                86            87            88            89            90 
      1   0.274073D+02  0.585019D+01 -0.209886D+01 -0.414909D+01  0.396810D+01
      2  -0.541015D+02 -0.108469D+02 -0.136474D+01  0.404978D+01 -0.410505D+01
      3   0.266942D+02  0.499673D+01  0.346360D+01  0.993029D-01  0.136947D+00
      4  -0.358794D+02 -0.172677D+01 -0.902572D+01 -0.143545D+01  0.966203D+01
      5  -0.221356D+01 -0.396057D+00 -0.394836D+01  0.194429D+01  0.306530D+01
      6  -0.225390D+02 -0.434821D+01  0.166086D+02 -0.102559D+02 -0.140890D+01
                91            92            93            94            95 
      1   0.819577D+01 -0.174304D+02  0.420461D+00 -0.118655D+02  0.293049D+02
      2  -0.125625D+02  0.381975D+02 -0.709056D+01  0.218743D+02 -0.539899D+02
      3   0.436675D+01 -0.207671D+02  0.667010D+01 -0.100087D+02  0.246850D+02
      4  -0.785360D+00 -0.197206D+02  0.129360D+02 -0.121635D+02  0.339257D+02
      5   0.163082D+01  0.762620D+01 -0.487100D+01  0.334755D+01 -0.275442D+01
      6   0.161612D+02 -0.820319D+01 -0.144127D+02 -0.376455D+01  0.237049D+02
                96            97            98            99           100 
      1  -0.661815D+01 -0.262798D+00  0.335416D+01  0.366877D+01 -0.700751D+01
      2   0.119872D+02 -0.334798D+01 -0.292923D+01 -0.390311D+01  0.128527D+02
      3  -0.536909D+01  0.361078D+01 -0.424932D+00  0.234338D+00 -0.584520D+01
      4  -0.285606D+01  0.844508D+01 -0.261385D+01 -0.958873D+01  0.114190D+02
      5   0.660483D+00 -0.433850D+01 -0.191555D+01  0.371530D+01  0.311940D+01
      6  -0.504272D+01 -0.160979D+02 -0.103510D+02  0.156013D+01 -0.108608D+02
               101           102           103           104           105 
      1   0.444781D+01 -0.368089D+01 -0.947214D+01 -0.359083D+02  0.916383D+01
      2   0.592312D+01  0.346930D+01  0.498897D+01  0.494957D+02  0.264506D+00
      3  -0.103709D+02  0.211591D+00  0.448317D+01 -0.135874D+02 -0.942834D+01
      4  -0.212368D+01 -0.145732D+02  0.365197D+01 -0.186494D+02  0.342466D+01
      5  -0.110752D+02 -0.177790D+00 -0.113040D+01  0.445245D+01 -0.337904D+01
      6   0.493213D+01 -0.361264D+01  0.463001D-01 -0.230698D+02  0.873262D+01
               106           107           108           109           110 
      1  -0.287898D+01 -0.149873D+01 -0.932864D+01  0.161975D+02 -0.117180D+02
      2   0.156234D+01 -0.266887D+01  0.761698D+01 -0.121112D+02 -0.113990D+02
      3   0.131663D+01  0.416760D+01  0.171167D+01 -0.408632D+01  0.231170D+02
      4  -0.609102D+01  0.712783D+01  0.213803D+01 -0.320155D+02  0.182934D+02
      5  -0.172762D+01 -0.174367D+01  0.480011D+01  0.332078D+01  0.403818D+01
      6  -0.627685D+01  0.926793D+01 -0.178624D+01  0.619296D+01  0.734015D+01
               111           112           113           114           115 
      1  -0.276903D+01 -0.447473D+02  0.121621D+02  0.696620D+01 -0.292545D+02
      2  -0.171215D+00  0.731254D+01 -0.127854D+02 -0.102486D+01  0.448070D+01
      3   0.294024D+01  0.374348D+02  0.623347D+00 -0.594134D+01  0.247738D+02
      4   0.763836D+01  0.241274D+02 -0.168605D+02 -0.182002D+01  0.843106D+01
      5   0.493812D+01 -0.275373D+01 -0.257804D+01 -0.261286D+00  0.139010D+02
      6   0.186844D+01 -0.102045D+01  0.245663D+01  0.567234D+01 -0.255641D+01
               116           117           118           119           120 
      1  -0.319412D+01  0.614983D+01  0.651167D+02  0.153118D+02  0.119052D+02
      2   0.101073D+02  0.871803D+00 -0.373995D+02 -0.137908D+02 -0.170380D+02
      3  -0.691317D+01 -0.702164D+01 -0.277171D+02 -0.152093D+01  0.513284D+01
      4  -0.107676D+02 -0.106966D+02  0.257438D+02  0.115757D+02  0.557664D+01
      5  -0.656702D+01 -0.492578D+01  0.359637D+02  0.648070D+01  0.168003D+02
      6   0.430374D+01  0.178372D+01  0.644383D+01  0.672831D+01  0.537363D+01
               121           122           123           124           125 
      1   0.405528D+02  0.683766D+01 -0.105498D+02  0.245842D+02 -0.915608D+01
      2  -0.843606D+01  0.605806D+01  0.600780D+01 -0.563239D+01  0.737166D+01
      3  -0.321167D+02 -0.128957D+02  0.454198D+01 -0.189518D+02  0.178443D+01
      4   0.506480D+01  0.121430D+02  0.527306D+01 -0.156938D+02  0.281869D+01
      5  -0.701156D+01  0.618810D+01 -0.236248D+00  0.532565D+01  0.205824D+01
      6   0.760723D+01  0.484184D+00 -0.462488D+00 -0.246021D+01 -0.201071D+00
               126           127           128           129           130 
      1  -0.350374D+01 -0.325497D+01 -0.985408D+01 -0.245262D+02  0.230127D+01
      2  -0.324653D+01 -0.570363D+01  0.998677D+01 -0.111553D+02  0.439537D+01
      3   0.675027D+01  0.895861D+01 -0.132690D+00  0.356816D+02 -0.669664D+01
      4   0.519746D+01 -0.190181D+02 -0.145818D+01 -0.479922D+00  0.406512D+01
      5   0.632260D+01  0.209928D+01 -0.829432D+00  0.203272D+02  0.123989D+01
      6  -0.496453D+01  0.182942D+01  0.127673D+01 -0.716173D+01 -0.123991D+00
               131           132           133           134           135 
      1  -0.185098D+01 -0.265642D+01  0.698245D+01  0.147922D+02 -0.628875D+01
      2   0.773688D+01 -0.166203D+01 -0.243232D+02 -0.838010D+01 -0.280823D+02
      3  -0.588590D+01  0.431844D+01  0.173407D+02 -0.641205D+01  0.343710D+02
      4  -0.256493D+01 -0.174266D+01  0.976906D+01  0.274826D+01 -0.149129D+01
      5  -0.734797D+00 -0.823209D+01  0.260258D+02 -0.506204D+00  0.325113D+02
      6  -0.430976D+01 -0.833415D+01  0.361319D+01 -0.390152D+01 -0.289114D+01
               136           137           138           139           140 
      1  -0.282373D+01  0.564332D+01  0.734530D+01  0.591362D+01  0.765192D+01
      2   0.553974D+01  0.137466D+01 -0.779114D+01 -0.159073D+01 -0.161363D+02
      3  -0.271601D+01 -0.701797D+01  0.445835D+00 -0.432289D+01  0.848436D+01
      4   0.168555D+01  0.986121D+01  0.359450D+01  0.687612D+01 -0.260048D+01
      5   0.576635D+01  0.269649D+01  0.252155D+01 -0.208444D+00  0.119982D+01
      6   0.129515D+01 -0.774310D+00 -0.109663D+02  0.434235D+01 -0.403657D+01
               141           142           143           144           145 
      1   0.253024D+02 -0.104558D+01  0.212564D+02 -0.211613D+02 -0.171207D+02
      2   0.687915D+01 -0.499191D+01 -0.111314D+02 -0.134975D+02 -0.581228D-01
      3  -0.321816D+02  0.603749D+01 -0.101250D+02  0.346588D+02  0.171788D+02
      4   0.904485D+00  0.551066D+01  0.696918D+01 -0.589655D+01  0.211237D+02
      5  -0.148231D+02  0.715543D-01 -0.592490D+01  0.187960D+02  0.690085D+00
      6   0.159402D+02 -0.276871D+01  0.149079D+02 -0.175282D+02 -0.391013D+00
               146           147           148           149           150 
      1   0.380465D+01  0.101408D+02  0.104362D+02 -0.171933D+02  0.693212D+01
      2   0.159314D+02 -0.542740D+01  0.176338D+02 -0.127830D+02 -0.361776D+01
      3  -0.197360D+02 -0.471344D+01 -0.280700D+02  0.299763D+02 -0.331436D+01
      4  -0.282595D+02  0.614206D+01 -0.510717D+02  0.455414D+02 -0.125168D+01
      5   0.100339D+02  0.433235D+01  0.110777D+02 -0.266383D+01  0.418821D+01
      6  -0.611919D+01 -0.767436D+01 -0.548519D+00  0.961881D+00 -0.636029D+01
               151           152           153           154           155 
      1   0.140244D+02  0.180279D+02  0.143134D+02 -0.527492D+01  0.203913D+02
      2  -0.127770D+02 -0.162646D+01 -0.781848D+01  0.468629D+01 -0.188431D+02
      3  -0.124741D+01 -0.164015D+02 -0.649493D+01  0.588624D+00 -0.154827D+01
      4   0.161791D+02 -0.116835D+02  0.693166D+01  0.268341D+02 -0.231768D+01
      5   0.244102D+01  0.881752D+01  0.411428D+01  0.288727D+02 -0.312546D+02
      6  -0.365884D+01 -0.806646D+01 -0.870886D+01 -0.101643D+02  0.289925D+01
               156           157           158           159           160 
      1   0.190338D+02  0.270060D+02  0.501537D+01 -0.380049D+02  0.175902D+02
      2  -0.963011D+01 -0.223209D+02  0.260348D+01  0.171142D+02 -0.812858D+01
      3  -0.940374D+01 -0.468507D+01 -0.761885D+01  0.208907D+02 -0.946162D+01
      4  -0.309369D+02 -0.326743D+01 -0.246221D+01  0.175735D+02 -0.380425D+02
      5  -0.199384D+02 -0.432042D+02  0.149634D+02 -0.135886D+00 -0.201168D+02
      6   0.887636D+01  0.598463D+01 -0.118332D+01 -0.518802D+01  0.102705D+02
               161           162           163           164           165 
      1  -0.338973D+02 -0.124392D+02 -0.536543D+02 -0.296624D+02 -0.438542D+01
      2   0.134330D+02  0.986858D+01  0.230574D+02  0.140262D+02  0.422930D+01
      3   0.204642D+02  0.257063D+01  0.305969D+02  0.156362D+02  0.156120D+00
      4   0.169764D+02 -0.124338D+01 -0.332564D+02 -0.207884D+02  0.293126D+02
      5  -0.149836D+01  0.190595D+02 -0.383556D+01  0.287900D+02 -0.586095D-02
      6  -0.412303D+01 -0.102296D+01  0.769100D+01  0.451594D+00  0.280259D+01
               166           167           168           169           170 
      1  -0.455562D+02 -0.300655D+02  0.404698D+02 -0.315448D+01  0.401658D+02
      2   0.206454D+02  0.148197D+02 -0.203260D+02  0.236291D+01 -0.215570D+02
      3   0.249108D+02  0.152459D+02 -0.201438D+02  0.791569D+00 -0.186088D+02
      4  -0.361005D+02  0.410691D+01 -0.100162D+02  0.448011D+02 -0.805061D+01
      5   0.438708D+02 -0.101946D+02  0.202046D+02 -0.111678D+02  0.188423D+02
      6  -0.290400D+01  0.453094D+01 -0.294647D+01  0.398050D+01 -0.304157D+01
               171           172           173           174           175 
      1  -0.688584D+01 -0.165576D+02  0.266369D+01  0.286690D+01 -0.369407D+01
      2   0.309022D+01  0.115543D+02  0.196445D+01 -0.134433D+01 -0.130250D+01
      3   0.379562D+01  0.500328D+01 -0.462814D+01 -0.152256D+01  0.499657D+01
      4   0.180381D+02 -0.243770D+01 -0.502664D+01 -0.184965D+02 -0.195958D+02
      5  -0.814482D+01 -0.969574D+01 -0.190022D+02 -0.201646D+02 -0.257271D+02
      6   0.474177D+01 -0.571725D+01 -0.656807D+01 -0.656459D+01 -0.819961D+01
               176           177           178           179           180 
      1  -0.355058D+01 -0.192477D+02  0.101929D+02 -0.155240D+02 -0.882097D+01
      2  -0.431677D+01  0.164637D+02  0.305769D+01  0.181963D+02  0.795670D+01
      3   0.786735D+01  0.278401D+01 -0.132506D+02 -0.267228D+01  0.864271D+00
      4  -0.238327D+02 -0.830276D+00 -0.199850D+02  0.196175D+01 -0.263191D+02
      5  -0.109875D+01 -0.178504D+02 -0.297021D+02 -0.276766D+02 -0.304025D+02
      6  -0.270290D+01 -0.655363D+01 -0.137836D+02 -0.930245D+01 -0.136069D+02
               181           182           183           184           185 
      1  -0.593287D+02  0.925226D+00 -0.116295D+02  0.189744D+01  0.120219D+02
      2   0.418085D+02 -0.869695D+00  0.256063D+02 -0.939221D+00 -0.171985D+02
      3   0.175202D+02 -0.555307D-01 -0.139768D+02 -0.958222D+00  0.517665D+01
      4   0.989525D+00 -0.141187D+02  0.632642D+00 -0.110317D+02 -0.194843D+01
      5  -0.353788D+02  0.294573D+00 -0.342974D+02 -0.697215D+00 -0.846193D+01
      6   0.759391D-02 -0.382423D+01 -0.847782D+00 -0.114936D+02  0.290099D+00
               186           187           188           189           190 
      1  -0.222310D-01 -0.152379D+02  0.118234D+00  0.157375D+02  0.306243D+02
      2  -0.438607D+00  0.292281D+02  0.339165D+00  0.207825D+02 -0.127701D+02
      3   0.460838D+00 -0.139902D+02 -0.457399D+00 -0.365201D+02 -0.178542D+02
      4  -0.573290D+01  0.141186D+01 -0.124179D+02 -0.553776D+00 -0.233715D+02
      5  -0.756412D+00 -0.224914D+02  0.303960D+00 -0.314130D+02 -0.129238D+02
      6  -0.175693D+02 -0.537342D+00 -0.689944D+01 -0.327159D-01  0.992448D+01
               191           192           193           194           195 
      1  -0.148613D+01 -0.144922D+01 -0.225490D+01 -0.476807D+02 -0.173475D+02
      2  -0.477010D+01  0.348760D+01 -0.873104D+01  0.763805D+02  0.146887D+02
      3   0.625622D+01 -0.203838D+01  0.109859D+02 -0.286997D+02  0.265876D+01
      4   0.261320D+02  0.102832D+02  0.255053D+02 -0.275957D+02 -0.989042D+01
      5   0.993662D+01  0.198712D+02  0.333156D+01 -0.109855D+02 -0.668087D+01
      6  -0.407514D+01 -0.731149D+01 -0.761796D+01  0.325452D+02  0.311440D+02
               196           197           198           199           200 
      1  -0.500220D+00 -0.180865D+02 -0.251422D+02  0.335210D+02 -0.290007D-01
      2   0.590652D+01  0.752880D+01 -0.351458D+01 -0.168437D+02  0.636302D+01
      3  -0.540630D+01  0.105577D+02  0.286568D+02 -0.166773D+02 -0.633402D+01
      4   0.713771D+01 -0.599532D+01 -0.123653D+02  0.216573D+02  0.239289D+02
      5   0.203979D+02 -0.117935D+02 -0.181292D+02 -0.156917D+02 -0.921132D+01
      6  -0.115861D+02  0.330507D+02  0.351198D+02 -0.938965D+01 -0.494632D+01
               201           202           203           204           205 
      1  -0.143554D+01 -0.135050D+01 -0.404062D+02  0.179401D+02  0.508361D+00
      2   0.490220D+01  0.101907D+02  0.626564D+02 -0.145530D+02  0.700620D+01
      3  -0.346666D+01 -0.884025D+01 -0.222502D+02 -0.338708D+01 -0.751456D+01
      4  -0.101752D+02  0.249850D+02  0.281369D+02 -0.119465D+02 -0.711095D+01
      5   0.234300D+02 -0.362543D+01 -0.131306D+02  0.771481D+01  0.237920D+02
      6   0.796995D+01 -0.935995D+01 -0.336097D+02  0.310384D+02  0.126530D+02
               206           207           208           209           210 
      1   0.198213D+02 -0.266889D+02 -0.708238D+01  0.639060D+01  0.184424D+02
      2  -0.863681D+01 -0.956973D+01 -0.737949D+01  0.961753D+00  0.101441D+02
      3  -0.111845D+02  0.362587D+02  0.144619D+02 -0.735236D+01 -0.285865D+02
      4  -0.766363D+01  0.134551D+02 -0.365972D+01  0.152220D+01  0.299836D+01
      5   0.124621D+02 -0.237401D+02 -0.107780D+02  0.291202D+01  0.104051D+02
      6   0.312848D+02 -0.367451D+02  0.807742D+01 -0.745449D+01 -0.136086D+02
               211           212           213           214           215 
      1   0.275024D+01 -0.348840D+01 -0.119580D+01  0.938862D+01 -0.264698D+01
      2  -0.882205D+00  0.469078D+00  0.241692D+01  0.458930D+01 -0.568303D+00
      3  -0.186804D+01  0.301932D+01 -0.122113D+01 -0.139779D+02  0.321528D+01
      4   0.126338D+01 -0.195686D+01 -0.121269D+01  0.158255D+01 -0.191293D+01
      5   0.261632D+01 -0.242208D+01 -0.337366D+01  0.843938D+01 -0.243077D+01
      6  -0.394191D+01  0.447217D+01  0.516909D+01 -0.508639D+01  0.524476D+01
               216           217           218           219           220 
      1  -0.170800D+02 -0.403687D-01 -0.162923D+01  0.433481D+01  0.106952D+01
      2  -0.113306D+02  0.318610D-01 -0.793691D+00  0.320489D+01  0.321430D+01
      3   0.284106D+02  0.850776D-02  0.242292D+01 -0.753970D+01 -0.428382D+01
      4  -0.238886D+01 -0.219624D+01  0.181211D+01 -0.167129D+01  0.515755D+01
      5  -0.109162D+02  0.101045D+01 -0.260152D+01  0.145776D+01 -0.823808D+01
      6   0.810535D+01 -0.273553D+01  0.109007D+01  0.452445D+00  0.578163D+01
               221           222           223           224           225 
      1  -0.152779D+02  0.185718D+02  0.483453D+00  0.117917D+02 -0.205995D+02
      2   0.814767D+00  0.593510D+01 -0.877005D+00  0.226488D+01 -0.693250D+01
      3   0.144631D+02 -0.245069D+02  0.393552D+00 -0.140566D+02  0.275320D+02
      4  -0.102677D+02  0.103192D+02 -0.273968D+01  0.450048D+01 -0.601297D+01
      5   0.117928D+02 -0.166341D+02  0.373485D+01 -0.731552D+01  0.111839D+02
      6  -0.218671D+02  0.242907D+02 -0.230423D+01  0.156309D+02 -0.203674D+02
               226           227           228           229           230 
      1  -0.222104D+01  0.358440D+00 -0.692149D+01 -0.103628D+02 -0.531612D+01
      2  -0.133655D+01 -0.624011D+00  0.144534D+01  0.739015D+01  0.560225D+01
      3   0.355759D+01  0.265571D+00  0.547615D+01  0.297268D+01 -0.286128D+00
      4  -0.412619D+01 -0.133033D+01 -0.291409D+00 -0.640830D+00  0.469830D+01
      5  -0.151576D+01  0.181690D+01 -0.117356D+01  0.121902D+01 -0.300519D+01
      6  -0.110808D+00  0.115559D+01 -0.307520D+01 -0.350167D+00 -0.264714D+01
               231           232           233           234           235 
      1   0.932289D+00 -0.197964D+02  0.121863D+01 -0.144206D+02  0.148047D+01
      2  -0.464756D+01  0.100890D+02 -0.932769D+00 -0.993708D+01  0.504230D+01
      3   0.371527D+01  0.970737D+01 -0.285857D+00  0.243577D+02 -0.652278D+01
      4  -0.389201D+01 -0.984351D+01 -0.658426D+01  0.317998D+01  0.861064D+01
      5  -0.311995D+01  0.994666D+01  0.523653D+01 -0.271619D+02 -0.366579D+00
      6   0.167579D+01  0.147060D+01  0.658036D+01 -0.149196D+02  0.113687D+00
               236           237           238           239           240 
      1   0.427970D+01  0.659576D+00  0.102898D+02 -0.243645D+02  0.100203D+01
      2   0.655318D+00 -0.779415D+00  0.413245D+01  0.516700D+02 -0.447119D+01
      3  -0.493502D+01  0.119839D+00 -0.144222D+02 -0.273055D+02  0.346916D+01
      4   0.121838D+02 -0.544570D+00  0.231643D+02  0.569506D+02 -0.849638D+01
      5  -0.800152D+00 -0.981964D-01 -0.600786D+01 -0.490555D+01  0.548601D+01
      6  -0.119060D+01 -0.616346D-01 -0.431021D+01 -0.121162D+02  0.752990D+01
               241           242           243           244           245 
      1   0.132866D+01  0.174027D+00 -0.520773D+01  0.545640D+02  0.178145D+02
      2  -0.589747D+00  0.177354D+01  0.352769D+01 -0.320036D+02 -0.888909D+01
      3  -0.738914D+00 -0.194756D+01  0.168004D+01 -0.225604D+02 -0.892538D+01
      4   0.363744D+00  0.725256D+00  0.532661D+01  0.298510D+02  0.177996D+02
      5   0.149957D+01  0.575924D+01 -0.226616D+01 -0.410497D+02 -0.123126D+02
      6   0.134942D+01  0.724009D+01 -0.218121D+01 -0.944096D+01 -0.480506D+01
               246           247           248           249           250 
      1  -0.270752D+02  0.185566D+02  0.105381D+02 -0.583591D+01 -0.452591D+02
      2   0.183925D+02 -0.788524D+01 -0.444433D+01  0.271461D+01  0.320790D+02
      3   0.868269D+01 -0.106714D+02 -0.609377D+01  0.312129D+01  0.131801D+02
      4  -0.144186D+02  0.238285D+02  0.152462D+02 -0.152665D+02 -0.261084D+02
      5   0.321427D+02 -0.141601D+02 -0.146676D+02  0.147352D+02  0.557245D+02
      6   0.741130D+01 -0.740096D+01 -0.665583D+01  0.886717D+01  0.139656D+02
               251           252           253           254           255 
      1  -0.103608D+02  0.296548D+02  0.440643D+02  0.173150D+02  0.169659D+02
      2   0.666409D+01 -0.269927D+02 -0.200582D+02 -0.658495D+01 -0.769783D+01
      3   0.369673D+01 -0.266209D+01 -0.240061D+02 -0.107301D+02 -0.926812D+01
      4  -0.206149D+02  0.260448D+02  0.265800D+02  0.173579D+02  0.904903D+01
      5   0.228642D+02 -0.520563D+02  0.194737D+02  0.643264D+01  0.185030D+02
      6   0.101571D+02 -0.143165D+02  0.457704D+01  0.203130D+01  0.454002D+01
               256           257           258           259           260 
      1   0.229639D+02  0.118434D+02  0.444252D+01  0.424679D+02  0.122722D+02
      2  -0.773719D+01 -0.100477D+01  0.781026D+00 -0.189436D+02 -0.239891D+01
      3  -0.152267D+02 -0.108386D+02 -0.522355D+01 -0.235243D+02 -0.987332D+01
      4   0.242395D+02  0.186635D+02  0.123333D+02  0.245895D+02  0.232574D+02
      5   0.743459D+01  0.110686D+02  0.115071D+02  0.328749D+02  0.179424D+02
      6   0.372107D+01  0.487333D+01  0.591008D+01  0.964180D+01  0.626475D+01
               261           262           263           264           265 
      1   0.236032D+02 -0.163051D+02 -0.113442D+02 -0.941157D+01 -0.160719D+02
      2  -0.118858D+02  0.889002D+01  0.482044D+01  0.283461D+01  0.845421D+01
      3  -0.117174D+02  0.741511D+01  0.652372D+01  0.657696D+01  0.761767D+01
      4   0.211634D+02 -0.748088D+01 -0.283821D+01 -0.265273D+00  0.442812D+01
      5   0.308886D+02 -0.505096D+01 -0.551895D+00 -0.944599D+01  0.257323D+01
      6   0.888469D+01  0.402325D+01  0.114233D+01  0.296450D+01  0.144270D+01
               266           267           268           269           270 
      1  -0.375445D+01 -0.209973D+01 -0.160293D+02 -0.664389D+01 -0.143799D+02
      2   0.226747D+01  0.105429D+01  0.730168D+01  0.167160D+01 -0.242253D+01
      3   0.148698D+01  0.104544D+01  0.872758D+01  0.497228D+01  0.168024D+02
      4  -0.604924D+01 -0.685180D+01  0.120294D+01 -0.133027D+02 -0.109278D+02
      5  -0.678416D+01 -0.955898D+01  0.180827D+01 -0.120126D+02 -0.287665D+02
      6   0.437087D+01  0.660875D+01  0.577691D+00  0.762681D+01  0.104006D+02
               271           272           273           274           275 
      1   0.138182D+03 -0.401995D+02 -0.152787D+02 -0.392690D+02  0.249856D+02
      2  -0.669731D+02  0.170310D+02  0.853426D+01  0.147439D+02 -0.789808D+01
      3  -0.712087D+02  0.231685D+02  0.674440D+01  0.245251D+02 -0.170875D+02
      4  -0.554086D+02  0.320207D+02  0.581841D+01  0.370673D+02 -0.228528D+02
      5  -0.223880D+02  0.612305D+01  0.133816D+02  0.748266D+01 -0.455952D+01
      6   0.710880D+01 -0.398621D+01 -0.296792D+01 -0.432677D+01  0.274099D+01
               276           277           278           279           280 
      1   0.424515D+01 -0.455673D+01  0.955814D+00  0.106732D+02  0.632547D+02
      2  -0.217570D+01  0.328910D+01 -0.139262D+01 -0.635032D+01 -0.409211D+02
      3  -0.206945D+01  0.126764D+01  0.436809D+00 -0.432291D+01 -0.223337D+02
      4  -0.426945D+01  0.251870D+01 -0.152258D+01 -0.807065D+01 -0.171083D+02
      5  -0.687926D+01  0.162142D+02 -0.819900D+01 -0.440382D+01  0.491206D+02
      6   0.302438D+01 -0.350072D+01  0.285732D+01  0.181926D+01 -0.888309D+01
               281           282           283           284           285 
      1  -0.719790D+01  0.261342D+02  0.627342D+01  0.429407D+01  0.897471D-01
      2   0.410104D+01 -0.198079D+02 -0.652827D+01 -0.678414D+00 -0.269248D+01
      3   0.309686D+01 -0.632630D+01  0.254845D+00 -0.361565D+01  0.260273D+01
      4   0.104594D+02 -0.102125D+02  0.117697D+02 -0.724884D+01  0.721981D+01
      5  -0.954800D+01  0.380108D+02  0.388250D+00  0.835043D+01  0.306647D+01
      6   0.435844D+01 -0.779792D+01  0.404690D+01 -0.207076D+01  0.392749D+01
               286           287           288           289           290 
      1   0.439548D+02 -0.964293D+01  0.229339D+02 -0.231495D+01 -0.882507D+01
      2  -0.338632D+02  0.621946D+01 -0.266722D+02  0.281807D+01  0.624249D+01
      3  -0.100916D+02  0.342347D+01  0.373824D+01 -0.503122D+00  0.258258D+01
      4  -0.203916D+02  0.108878D+02 -0.121887D+02 -0.565549D+01  0.621563D+00
      5   0.549993D+02 -0.122398D+02  0.517866D+02  0.276715D+01  0.232412D+00
      6  -0.127513D+02  0.731467D+01 -0.113853D+02  0.369593D+00 -0.284639D+01
               291           292           293           294           295 
      1   0.297628D+01 -0.154578D+02 -0.147396D+02  0.207893D+01  0.503992D+00
      2  -0.190202D+01  0.684481D+00  0.344143D+02 -0.288933D+01 -0.201909D+01
      3  -0.107426D+01  0.147733D+02 -0.196747D+02  0.810406D+00  0.151510D+01
      4   0.511471D+00  0.205397D+02 -0.528325D+02  0.699387D+01 -0.207992D+01
      5   0.309473D+01 -0.437477D+01  0.941973D+01 -0.813805D+01  0.994903D+01
      6   0.264774D+00  0.368196D+01 -0.119441D+02  0.697944D+01 -0.178741D+01
               296           297           298           299           300 
      1  -0.103495D+00  0.274287D+01 -0.459215D+01 -0.219785D+02 -0.441637D+01
      2   0.150173D+01 -0.759890D+00  0.167920D+02  0.456505D+02  0.667416D+01
      3  -0.139824D+01 -0.198298D+01 -0.121998D+02 -0.236720D+02 -0.225779D+01
      4  -0.134509D+01 -0.491257D+01  0.216488D+02  0.324292D+02  0.757564D+01
      5  -0.522536D+01  0.258832D+01  0.464520D+01  0.530891D+01  0.474419D+01
      6   0.481607D+01 -0.213649D+01  0.924232D+01  0.152560D+02  0.657374D+01
               301           302           303           304           305 
      1  -0.106430D+02 -0.442833D+02 -0.796837D+01 -0.135479D+01 -0.410993D+01
      2   0.230942D+02  0.834154D+02  0.127291D+02  0.202982D+01  0.386218D+01
      3  -0.124512D+02 -0.391321D+02 -0.476071D+01 -0.675031D+00  0.247751D+00
      4   0.201470D+02  0.368117D+02  0.614719D+01  0.395967D+01  0.438409D+01
      5   0.331979D+01  0.535771D+01  0.241751D+01  0.411544D+01  0.349906D+01
      6   0.749261D+01  0.246154D+02  0.123784D+02  0.369735D+01  0.157435D+02
               306           307           308           309           310 
      1  -0.681613D+01 -0.338939D+00  0.850603D+01  0.528771D+01  0.282887D+01
      2   0.905708D+01  0.251876D+01 -0.953117D+01 -0.347692D+01 -0.329753D+01
      3  -0.224094D+01 -0.217982D+01  0.102514D+01 -0.181079D+01  0.468663D+00
      4   0.500789D+01 -0.147955D+02  0.109762D+02  0.904745D+01  0.665556D+01
      5   0.261229D+01 -0.766486D+01  0.469441D+01  0.563429D+01  0.167120D+01
      6   0.642039D+01  0.130057D+02 -0.110960D+02 -0.158022D+02 -0.459744D+01
               311           312           313           314           315 
      1  -0.800893D+01 -0.567025D+01  0.423436D+01 -0.115630D+02 -0.106355D+02
      2   0.121140D+02  0.786929D+01 -0.163992D+01  0.120126D+02  0.313136D+01
      3  -0.410510D+01 -0.219904D+01 -0.259445D+01 -0.449573D+00  0.750418D+01
      4  -0.456506D+01 -0.293251D+01  0.951733D+01 -0.473704D+01 -0.824737D+01
      5  -0.225447D+01 -0.192965D+01  0.607742D+01 -0.332144D+01 -0.580877D+01
      6   0.115164D+02  0.916660D+01 -0.119517D+02  0.161856D+02  0.211784D+02
               316           317           318           319           320 
      1   0.272585D+00 -0.786725D+01  0.523712D+01 -0.261224D+01 -0.717493D+01
      2   0.178634D+01  0.857877D+01 -0.285316D+01  0.292922D+01  0.108003D+02
      3  -0.205893D+01 -0.711517D+00 -0.238396D+01 -0.316982D+00 -0.362537D+01
      4   0.151624D+02  0.107613D+02 -0.958055D+01  0.598954D+01  0.430485D+01
      5  -0.833772D+01 -0.503388D+01  0.646260D+01 -0.159767D+01 -0.229564D+01
      6  -0.132140D+02 -0.110205D+02  0.163433D+02 -0.430253D+01 -0.106761D+02
               321           322           323           324           325 
      1   0.523309D+01  0.435189D+01  0.108021D+02 -0.103237D+02 -0.479646D+01
      2  -0.739554D+01 -0.160549D+01 -0.109397D+02  0.237532D+01  0.157270D+02
      3   0.216245D+01 -0.274639D+01  0.137623D+00  0.794834D+01 -0.109305D+02
      4  -0.285106D+01 -0.942278D+01 -0.509232D+01  0.856915D+01 -0.201053D+02
      5   0.188635D+01  0.648954D+01  0.370461D+01 -0.668657D+01  0.469337D+01
      6   0.855478D+01  0.120082D+02  0.157553D+02 -0.211272D+02 -0.935263D+01
               326           327           328           329           330 
      1   0.227278D+02 -0.488754D+01  0.104467D+02 -0.455005D+02  0.870516D+01
      2  -0.451568D+02  0.719343D+01 -0.216266D+02  0.834255D+02 -0.136593D+02
      3   0.224290D+02 -0.230589D+01  0.111799D+02 -0.379250D+02  0.495410D+01
      4   0.309010D+02 -0.781994D+01  0.187913D+02 -0.343865D+02  0.634906D+01
      5  -0.551201D+01  0.479969D+01 -0.348658D+01  0.542347D+01 -0.239429D+01
      6   0.160319D+02 -0.696733D+01  0.765619D+01 -0.262001D+02  0.130079D+02
               331           332           333           334           335 
      1  -0.167295D+01  0.525269D+01 -0.725639D+01 -0.659027D+01 -0.569391D+01
      2   0.243872D+01 -0.526706D+01  0.924465D+01 -0.776231D+01 -0.653846D+00
      3  -0.765767D+00  0.143741D-01 -0.198827D+01  0.143526D+02  0.634775D+01
      4  -0.407288D+01  0.490080D+01 -0.486183D+01  0.416775D+01  0.189672D+01
      5   0.406547D+01 -0.344304D+01  0.262193D+01 -0.125719D+02 -0.313441D+01
      6  -0.369001D+01  0.162227D+02 -0.721441D+01 -0.790812D+01 -0.685277D+01
               336           337           338           339           340 
      1   0.172401D+02 -0.217380D+01 -0.276061D+01  0.382502D+00  0.872847D+01
      2   0.104514D+02  0.105442D+01  0.130205D+00 -0.273465D+01  0.511197D+01
      3  -0.276915D+02  0.111938D+01  0.263041D+01  0.235214D+01 -0.138404D+02
      4  -0.317336D+01  0.175800D+01  0.195816D+01 -0.135153D+01 -0.191911D+01
      5   0.118740D+02 -0.227851D+01 -0.262679D+01  0.280668D+01  0.915019D+01
      6   0.123583D+02 -0.385710D+01 -0.388077D+01  0.456739D+01  0.476734D+01
               341           342           343           344           345 
      1   0.182408D+01 -0.150655D+02 -0.715337D+00  0.173389D+01  0.451962D+01
      2   0.539835D+00 -0.106790D+02  0.241721D-01  0.968195D+00  0.324221D+01
      3  -0.236392D+01  0.257445D+02  0.691165D+00 -0.270209D+01 -0.776183D+01
      4  -0.188981D+01  0.249632D+01  0.244212D+01  0.181491D+01  0.199330D+01
      5   0.244764D+01 -0.115830D+02  0.128536D+01  0.305593D+01  0.195376D+01
      6   0.469137D+01 -0.654430D+01  0.335691D+01  0.102952D+01 -0.545439D+00
               346           347           348           349           350 
      1  -0.543827D+00 -0.159155D+02 -0.193827D+02  0.582554D+00 -0.121176D+02
      2  -0.328134D+01  0.108232D+01 -0.583712D+01 -0.647721D+00 -0.174979D+01
      3   0.382516D+01  0.148332D+02  0.252198D+02  0.651666D-01  0.138674D+02
      4   0.450236D+01  0.968989D+01  0.959913D+01  0.300275D+01  0.395167D+01
      5   0.780623D+01  0.108035D+02  0.157700D+02  0.346944D+01  0.691224D+01
      6   0.509063D+01  0.219548D+02  0.243908D+02  0.232613D+01  0.158728D+02
               351           352           353           354           355 
      1  -0.205840D+02  0.263074D+02 -0.114551D+02 -0.424774D+00 -0.170351D+02
      2  -0.604915D+01 -0.604554D+00 -0.858449D+01  0.152337D+01 -0.123854D+02
      3   0.266331D+02 -0.257029D+02  0.200396D+02 -0.109859D+01  0.294205D+02
      4   0.564572D+01 -0.347113D+02  0.342060D+02 -0.326021D+01  0.487786D+02
      5   0.947920D+01  0.878789D+00 -0.436847D+01  0.503576D+01  0.404701D+00
      6   0.203410D+02 -0.213265D+01  0.764204D+00 -0.134249D+01 -0.427950D+00
               356           357           358           359           360 
      1   0.283929D+01  0.225714D+01  0.836249D+01 -0.284226D+01 -0.284906D+01
      2   0.334154D+02 -0.301668D+01  0.168537D+01 -0.869219D+01  0.372349D+01
      3  -0.362547D+02  0.759539D+00 -0.100479D+02  0.115344D+02 -0.874427D+00
      4  -0.633344D+02  0.150397D+01 -0.167588D+02  0.186439D+02 -0.845523D+01
      5   0.443351D+01 -0.752851D+01  0.558858D+01 -0.907034D+01  0.492386D+01
      6  -0.105434D+01  0.655257D+01 -0.353048D+01  0.836600D+01 -0.284373D+01
               361           362           363           364           365 
      1  -0.138098D+02 -0.738019D+01 -0.811661D+01 -0.647676D+01 -0.687678D+01
      2   0.873974D+01  0.390375D+01  0.424554D+01  0.100886D+01  0.943553D+01
      3   0.507010D+01  0.347643D+01  0.387107D+01  0.546791D+01 -0.255875D+01
      4   0.228747D+01  0.195511D+01 -0.129198D+01  0.965595D+01 -0.118318D+02
      5  -0.582077D-01 -0.270461D+01 -0.210374D+01  0.452983D+00 -0.485066D+01
      6   0.269224D+01  0.433234D+01  0.543808D+01  0.109569D+01  0.806942D+01
               366           367           368           369           370 
      1  -0.725364D+01 -0.145470D+02 -0.138347D+02 -0.161053D+02  0.687648D+02
      2   0.543365D+01  0.927757D+01  0.739304D+01  0.250419D+01 -0.401270D+02
      3   0.181999D+01  0.526944D+01  0.644165D+01  0.136011D+02 -0.286379D+02
      4  -0.513558D+01  0.157774D+01 -0.654162D+01 -0.862620D+01 -0.346046D+02
      5  -0.497164D+01  0.480931D+01 -0.968286D+01 -0.167889D+02 -0.496282D+02
      6   0.861043D+01  0.515738D+00  0.130671D+02  0.179570D+02  0.112957D+02
               371           372           373           374           375 
      1  -0.193711D+02 -0.294819D+02 -0.273541D+02  0.121922D+02  0.135374D+02
      2   0.104724D+02  0.210780D+02  0.146916D+02 -0.484639D+01 -0.897359D+01
      3   0.889875D+01  0.840387D+01  0.126626D+02 -0.734581D+01 -0.456385D+01
      4   0.202250D+02  0.203829D+02  0.281780D+02 -0.234021D+02 -0.194417D+02
      5   0.192632D+02  0.365767D+02  0.266521D+02 -0.187884D+02 -0.197915D+02
      6  -0.634306D+01 -0.790082D+01 -0.101804D+02  0.874948D+01  0.100306D+02
               376           377           378           379           380 
      1  -0.275672D+02  0.931156D+01  0.202634D+02 -0.168509D+02  0.541696D+01
      2   0.218457D+02 -0.685091D+01 -0.197623D+02  0.751218D+01  0.320200D+00
      3   0.572151D+01 -0.246065D+01 -0.501069D+00  0.933874D+01 -0.573716D+01
      4   0.199601D+02 -0.136529D+02 -0.174588D+02  0.520410D+01 -0.420637D+01
      5   0.413173D+02 -0.159846D+02 -0.392064D+02 -0.401845D+01  0.280589D+01
      6  -0.101039D+02  0.812047D+01  0.100454D+02 -0.248420D+01  0.864780D+00
               381           382           383           384           385 
      1  -0.802522D+01  0.157913D+02 -0.843734D+01  0.100251D+02 -0.123168D+02
      2   0.915975D+00 -0.791351D+01  0.179398D+01  0.453571D+00  0.595851D+01
      3   0.710924D+01 -0.787779D+01  0.664336D+01 -0.104787D+02  0.635825D+01
      4   0.382117D+01 -0.153416D+01  0.141541D+02 -0.992970D+01  0.365306D+01
      5  -0.171513D+01  0.186641D+01 -0.874706D+01  0.161848D+02  0.704042D+01
      6  -0.873775D+00  0.947956D+00 -0.657083D+01  0.547082D+01 -0.208775D+01
               386           387           388           389           390 
      1   0.795650D+01 -0.786886D+01  0.118825D+03  0.368724D+02 -0.122168D+02
      2   0.251528D+00 -0.769676D+01 -0.566050D+02 -0.157328D+02  0.613831D+01
      3  -0.820803D+01  0.155656D+02 -0.622204D+02 -0.211396D+02  0.607846D+01
      4  -0.888021D+01  0.749058D+01  0.453337D+02  0.272386D+02 -0.748797D+01
      5   0.748148D+01 -0.238212D+02 -0.138682D+02 -0.675369D+01  0.135045D+02
      6   0.593318D+01 -0.443165D+01 -0.452276D+01 -0.146471D+01  0.163719D+01
               391           392           393           394           395 
      1   0.610268D+02  0.309957D+02 -0.930283D+01 -0.307921D+02 -0.128677D+02
      2  -0.258364D+02 -0.105850D+02  0.418108D+01  0.151935D+02  0.612613D+01
      3  -0.351904D+02 -0.204107D+02  0.512175D+01  0.155986D+02  0.674153D+01
      4   0.431478D+02  0.307453D+02 -0.387216D+01 -0.161430D+02 -0.744886D+01
      5  -0.110006D+02 -0.341037D+01  0.675986D+01  0.218067D+02  0.623967D+01
      6  -0.284183D+01 -0.259574D+01  0.310987D+01  0.396477D+01  0.358370D+01
               396           397           398           399           400 
      1   0.153675D+02  0.485674D+02 -0.116529D+02  0.169292D+02 -0.338306D+02
      2  -0.848011D+01 -0.252978D+02  0.561835D+01 -0.100919D+02  0.164186D+02
      3  -0.688736D+01 -0.232696D+02  0.603452D+01 -0.683725D+01  0.174120D+02
      4   0.640261D+01 -0.159720D+02  0.147241D+02 -0.999589D+01  0.304122D+02
      5  -0.101358D+02  0.221264D+02 -0.102819D+02  0.151021D+02 -0.235032D+02
      6  -0.236954D+01 -0.460357D+01  0.251041D+01 -0.272303D+01  0.611330D+01
               401           402           403           404           405 
      1   0.196425D+02 -0.167349D+02  0.360805D+02 -0.138580D+02  0.174381D+02
      2  -0.779160D+01  0.875149D+01 -0.219805D+02  0.864526D+01 -0.139438D+02
      3  -0.118509D+02  0.798345D+01 -0.141000D+02  0.521272D+01 -0.349431D+01
      4  -0.286424D+02  0.158393D+02 -0.191191D+02  0.156018D+02 -0.158978D+02
      5   0.160308D+02 -0.223561D+02  0.296059D+02 -0.159498D+02  0.324729D+02
      6  -0.642350D+01  0.628194D+01 -0.576281D+01  0.572844D+01 -0.612972D+01
               406           407           408           409           410 
      1  -0.298825D+01  0.445162D+01 -0.437118D+01  0.181393D+02 -0.560230D+01
      2   0.338729D+01 -0.290780D+01  0.294688D+01 -0.409979D+01  0.209094D+02
      3  -0.399038D+00 -0.154382D+01  0.142430D+01 -0.140395D+02 -0.153071D+02
      4   0.399213D+01  0.356840D+01 -0.985809D+00  0.193488D+02  0.366615D+02
      5  -0.483450D+01  0.387307D+00  0.195600D+01  0.515418D+01 -0.284294D+01
      6  -0.358415D+01 -0.135267D+01  0.857302D+00  0.270852D+01  0.454633D+00
               411           412           413           414           415 
      1   0.534676D+01 -0.228985D+02  0.413083D+01 -0.134960D+01  0.235987D+02
      2  -0.599472D+01  0.894813D+01 -0.953875D+01  0.303857D+01 -0.163079D+02
      3   0.647956D+00  0.139503D+02  0.540793D+01 -0.168898D+01 -0.729085D+01
      4  -0.335894D+01 -0.334462D+01 -0.137964D+02  0.849495D+01  0.166067D+02
      5   0.826907D+01  0.373885D+01  0.902617D+01 -0.423603D+01  0.268179D+02
      6   0.538172D+01  0.135695D+01  0.374531D+01 -0.142521D+01  0.880781D+01
               416           417           418           419           420 
      1   0.630915D+01  0.124219D+02  0.819774D+01  0.299074D+01  0.284849D+01
      2  -0.341675D+01 -0.912204D+01 -0.270728D+01  0.395000D+00 -0.193928D+01
      3  -0.289240D+01 -0.329988D+01 -0.549046D+01 -0.338574D+01 -0.909210D+00
      4   0.134985D+02  0.144466D+02  0.195963D+02  0.216265D+02  0.162898D+02
      5   0.144820D+02  0.241908D+02  0.159434D+02  0.173299D+02  0.167019D+02
      6   0.586726D+01  0.722250D+01  0.927405D+01  0.107408D+02  0.124396D+02
               421           422           423 
      1   0.235559D+02  0.482721D+01  0.483284D+01
      2  -0.191671D+02 -0.607048D+01 -0.161250D+02
      3  -0.438881D+01  0.124327D+01  0.112921D+02
      4   0.251968D+02  0.214402D+02  0.279455D+02
      5   0.407141D+02  0.290374D+02  0.534537D+02
      6   0.161594D+02  0.166557D+02  0.216784D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Jul 18 09:45:09 2021, MaxMem=  5637144576 cpu:         1025019.1 elap:          128446.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -100.76849-100.76736 -10.05001 -10.04929 -10.04491
 Alpha  occ. eigenvalues --  -10.04371 -10.04333 -10.04295 -10.04225 -10.04192
 Alpha  occ. eigenvalues --  -10.03834 -10.03772 -10.03464 -10.03316 -10.03306
 Alpha  occ. eigenvalues --  -10.03280 -10.02455 -10.02291 -10.01994 -10.01978
 Alpha  occ. eigenvalues --  -10.01898 -10.01665  -9.27657  -9.27549  -7.09621
 Alpha  occ. eigenvalues --   -7.09515  -7.09384  -7.09277  -7.09274  -7.09167
 Alpha  occ. eigenvalues --   -2.14810  -1.32988  -1.32881  -1.32819  -0.98727
 Alpha  occ. eigenvalues --   -0.97476  -0.90751  -0.90101  -0.89126  -0.85052
 Alpha  occ. eigenvalues --   -0.84069  -0.83639  -0.83474  -0.81007  -0.80247
 Alpha  occ. eigenvalues --   -0.79240  -0.76367  -0.72762  -0.71842  -0.70611
 Alpha  occ. eigenvalues --   -0.67155  -0.67054  -0.64232  -0.64031  -0.60405
 Alpha  occ. eigenvalues --   -0.59947  -0.59613  -0.57092  -0.55533  -0.54878
 Alpha  occ. eigenvalues --   -0.54499  -0.53475  -0.53173  -0.52978  -0.52177
 Alpha  occ. eigenvalues --   -0.52093  -0.49973  -0.49703  -0.48589  -0.47834
 Alpha  occ. eigenvalues --   -0.47783  -0.46983  -0.46789  -0.45958  -0.45414
 Alpha  occ. eigenvalues --   -0.44981  -0.44374  -0.44175  -0.43706  -0.42008
 Alpha  occ. eigenvalues --   -0.41647  -0.41175  -0.41150  -0.40465  -0.40289
 Alpha  occ. eigenvalues --   -0.39846  -0.39543  -0.39172  -0.38534  -0.37873
 Alpha  occ. eigenvalues --   -0.36885  -0.33659  -0.32481  -0.32023  -0.31033
 Alpha virt. eigenvalues --   -0.00503   0.01441   0.02017   0.02199   0.02421
 Alpha virt. eigenvalues --    0.03626   0.03727   0.03997   0.04104   0.04149
 Alpha virt. eigenvalues --    0.04234   0.04451   0.05413   0.05493   0.05732
 Alpha virt. eigenvalues --    0.05768   0.06265   0.06289   0.06521   0.06606
 Alpha virt. eigenvalues --    0.07006   0.07150   0.07182   0.07515   0.07653
 Alpha virt. eigenvalues --    0.07795   0.07925   0.08189   0.08581   0.08751
 Alpha virt. eigenvalues --    0.09667   0.09810   0.09992   0.10227   0.10256
 Alpha virt. eigenvalues --    0.10649   0.10854   0.10950   0.11387   0.11472
 Alpha virt. eigenvalues --    0.11841   0.11974   0.12286   0.12606   0.12629
 Alpha virt. eigenvalues --    0.13183   0.13370   0.13661   0.14132   0.14317
 Alpha virt. eigenvalues --    0.14490   0.14573   0.14676   0.14917   0.15152
 Alpha virt. eigenvalues --    0.15457   0.15618   0.15730   0.15988   0.16260
 Alpha virt. eigenvalues --    0.16384   0.16663   0.16808   0.16951   0.17195
 Alpha virt. eigenvalues --    0.17281   0.17522   0.17613   0.17709   0.18118
 Alpha virt. eigenvalues --    0.18289   0.18455   0.18498   0.18721   0.19133
 Alpha virt. eigenvalues --    0.19668   0.19877   0.20222   0.20353   0.20702
 Alpha virt. eigenvalues --    0.20796   0.21087   0.21366   0.21447   0.21836
 Alpha virt. eigenvalues --    0.21937   0.22160   0.22496   0.22716   0.22819
 Alpha virt. eigenvalues --    0.23172   0.23463   0.23510   0.23608   0.23985
 Alpha virt. eigenvalues --    0.24028   0.24187   0.24249   0.24518   0.25024
 Alpha virt. eigenvalues --    0.25160   0.25327   0.25595   0.26012   0.26349
 Alpha virt. eigenvalues --    0.26431   0.26542   0.26899   0.27067   0.27174
 Alpha virt. eigenvalues --    0.27626   0.27759   0.27879   0.28148   0.28204
 Alpha virt. eigenvalues --    0.28428   0.28587   0.28998   0.29152   0.29311
 Alpha virt. eigenvalues --    0.29558   0.29810   0.29894   0.30174   0.30304
 Alpha virt. eigenvalues --    0.30420   0.30598   0.30943   0.31205   0.31431
 Alpha virt. eigenvalues --    0.31487   0.31731   0.32039   0.32247   0.32439
 Alpha virt. eigenvalues --    0.32814   0.33166   0.33274   0.33532   0.33715
 Alpha virt. eigenvalues --    0.34024   0.34281   0.34445   0.34890   0.35115
 Alpha virt. eigenvalues --    0.35225   0.35567   0.35820   0.35986   0.36153
 Alpha virt. eigenvalues --    0.36547   0.36953   0.37467   0.37644   0.38262
 Alpha virt. eigenvalues --    0.38499   0.38554   0.38728   0.38893   0.39341
 Alpha virt. eigenvalues --    0.39657   0.40219   0.40386   0.40536   0.40785
 Alpha virt. eigenvalues --    0.41216   0.41467   0.41562   0.42158   0.42422
 Alpha virt. eigenvalues --    0.42515   0.42668   0.43006   0.43443   0.43669
 Alpha virt. eigenvalues --    0.43905   0.44255   0.44345   0.44735   0.45037
 Alpha virt. eigenvalues --    0.45330   0.45621   0.45920   0.46131   0.46693
 Alpha virt. eigenvalues --    0.46768   0.46967   0.47580   0.47700   0.48068
 Alpha virt. eigenvalues --    0.48085   0.48236   0.48672   0.48832   0.48973
 Alpha virt. eigenvalues --    0.49242   0.49309   0.50311   0.50522   0.50765
 Alpha virt. eigenvalues --    0.51100   0.51753   0.51906   0.52176   0.52354
 Alpha virt. eigenvalues --    0.52583   0.52969   0.53279   0.53427   0.54022
 Alpha virt. eigenvalues --    0.54306   0.54363   0.54554   0.55397   0.55612
 Alpha virt. eigenvalues --    0.56100   0.56442   0.56672   0.57172   0.57567
 Alpha virt. eigenvalues --    0.57992   0.58215   0.58349   0.58487   0.59009
 Alpha virt. eigenvalues --    0.59248   0.60149   0.60437   0.60664   0.61260
 Alpha virt. eigenvalues --    0.61384   0.61802   0.61857   0.62057   0.62367
 Alpha virt. eigenvalues --    0.62434   0.62704   0.62960   0.63193   0.63448
 Alpha virt. eigenvalues --    0.63556   0.64102   0.64314   0.64580   0.64964
 Alpha virt. eigenvalues --    0.65309   0.65486   0.65735   0.65809   0.66411
 Alpha virt. eigenvalues --    0.66624   0.66928   0.67048   0.67231   0.67344
 Alpha virt. eigenvalues --    0.67782   0.67904   0.68078   0.68347   0.68453
 Alpha virt. eigenvalues --    0.68874   0.69198   0.69466   0.69685   0.70062
 Alpha virt. eigenvalues --    0.70268   0.70515   0.71010   0.71433   0.71927
 Alpha virt. eigenvalues --    0.72114   0.72350   0.72576   0.72862   0.73168
 Alpha virt. eigenvalues --    0.73562   0.73607   0.73831   0.74077   0.74642
 Alpha virt. eigenvalues --    0.75068   0.75114   0.75331   0.75479   0.75930
 Alpha virt. eigenvalues --    0.76749   0.76843   0.77077   0.77462   0.77704
 Alpha virt. eigenvalues --    0.78078   0.78294   0.78593   0.78862   0.79263
 Alpha virt. eigenvalues --    0.79700   0.79751   0.80020   0.80311   0.80513
 Alpha virt. eigenvalues --    0.80907   0.81047   0.81658   0.81810   0.82296
 Alpha virt. eigenvalues --    0.82631   0.82901   0.83160   0.83555   0.83937
 Alpha virt. eigenvalues --    0.84539   0.84749   0.85148   0.85298   0.85660
 Alpha virt. eigenvalues --    0.86014   0.86676   0.87120   0.87201   0.87621
 Alpha virt. eigenvalues --    0.87735   0.88006   0.88371   0.89069   0.89178
 Alpha virt. eigenvalues --    0.89505   0.89907   0.90213   0.90540   0.90904
 Alpha virt. eigenvalues --    0.91353   0.91644   0.91982   0.92369   0.93101
 Alpha virt. eigenvalues --    0.93423   0.93883   0.94010   0.94565   0.95129
 Alpha virt. eigenvalues --    0.95327   0.95946   0.96063   0.96786   0.97285
 Alpha virt. eigenvalues --    0.97561   0.97883   0.98202   0.98632   0.99010
 Alpha virt. eigenvalues --    0.99621   0.99993   1.00178   1.00967   1.01254
 Alpha virt. eigenvalues --    1.01397   1.02010   1.02785   1.03358   1.03394
 Alpha virt. eigenvalues --    1.03869   1.04129   1.04484   1.05441   1.06051
 Alpha virt. eigenvalues --    1.06270   1.06761   1.07892   1.08072   1.08253
 Alpha virt. eigenvalues --    1.08666   1.09362   1.09534   1.09610   1.10052
 Alpha virt. eigenvalues --    1.11018   1.11630   1.11945   1.12844   1.13211
 Alpha virt. eigenvalues --    1.13924   1.14494   1.15357   1.15861   1.16356
 Alpha virt. eigenvalues --    1.16651   1.17432   1.17718   1.18336   1.19574
 Alpha virt. eigenvalues --    1.20434   1.20738   1.20853   1.21759   1.22682
 Alpha virt. eigenvalues --    1.22934   1.23793   1.23942   1.25059   1.25415
 Alpha virt. eigenvalues --    1.26102   1.26793   1.27353   1.27718   1.28337
 Alpha virt. eigenvalues --    1.29238   1.30062   1.30852   1.31095   1.31632
 Alpha virt. eigenvalues --    1.32696   1.32812   1.33060   1.33703   1.34350
 Alpha virt. eigenvalues --    1.35273   1.35759   1.36601   1.37219   1.38125
 Alpha virt. eigenvalues --    1.38425   1.39496   1.40009   1.41093   1.41509
 Alpha virt. eigenvalues --    1.42049   1.42314   1.43393   1.44110   1.44391
 Alpha virt. eigenvalues --    1.44767   1.45592   1.45905   1.46040   1.47186
 Alpha virt. eigenvalues --    1.48056   1.48528   1.48992   1.49616   1.50098
 Alpha virt. eigenvalues --    1.50609   1.51382   1.52081   1.52363   1.52809
 Alpha virt. eigenvalues --    1.53020   1.54143   1.54295   1.54866   1.54954
 Alpha virt. eigenvalues --    1.55451   1.55823   1.56327   1.57233   1.57795
 Alpha virt. eigenvalues --    1.58608   1.58654   1.60147   1.60386   1.60846
 Alpha virt. eigenvalues --    1.61200   1.61627   1.62352   1.63295   1.64154
 Alpha virt. eigenvalues --    1.64981   1.65245   1.65843   1.66331   1.66943
 Alpha virt. eigenvalues --    1.68095   1.68616   1.68961   1.69243   1.69579
 Alpha virt. eigenvalues --    1.70604   1.71056   1.72222   1.72520   1.72960
 Alpha virt. eigenvalues --    1.73406   1.73913   1.74380   1.74940   1.75292
 Alpha virt. eigenvalues --    1.75509   1.75692   1.76073   1.77056   1.77231
 Alpha virt. eigenvalues --    1.78142   1.78339   1.78995   1.79073   1.79844
 Alpha virt. eigenvalues --    1.80630   1.81443   1.81917   1.82675   1.83417
 Alpha virt. eigenvalues --    1.83528   1.84267   1.85317   1.85766   1.86023
 Alpha virt. eigenvalues --    1.86541   1.86781   1.88416   1.88726   1.89037
 Alpha virt. eigenvalues --    1.90645   1.91161   1.91695   1.92176   1.92789
 Alpha virt. eigenvalues --    1.93211   1.93496   1.94206   1.94412   1.95257
 Alpha virt. eigenvalues --    1.96077   1.96635   1.97260   1.97870   1.98120
 Alpha virt. eigenvalues --    1.98756   1.99353   1.99649   2.00409   2.01066
 Alpha virt. eigenvalues --    2.01206   2.02129   2.02594   2.02988   2.03475
 Alpha virt. eigenvalues --    2.03620   2.04176   2.04765   2.05050   2.05311
 Alpha virt. eigenvalues --    2.05863   2.06230   2.06722   2.07156   2.08049
 Alpha virt. eigenvalues --    2.08269   2.08469   2.09631   2.09871   2.10515
 Alpha virt. eigenvalues --    2.11143   2.11495   2.12123   2.12681   2.13675
 Alpha virt. eigenvalues --    2.14502   2.14559   2.15286   2.15736   2.16250
 Alpha virt. eigenvalues --    2.17093   2.17783   2.18326   2.19135   2.19281
 Alpha virt. eigenvalues --    2.19681   2.20751   2.21621   2.22092   2.22661
 Alpha virt. eigenvalues --    2.22795   2.23655   2.24650   2.24754   2.25103
 Alpha virt. eigenvalues --    2.26397   2.27392   2.27957   2.28202   2.28858
 Alpha virt. eigenvalues --    2.29826   2.30376   2.31387   2.32296   2.33007
 Alpha virt. eigenvalues --    2.33793   2.34357   2.34904   2.35881   2.36764
 Alpha virt. eigenvalues --    2.36891   2.37638   2.38162   2.38909   2.40019
 Alpha virt. eigenvalues --    2.41034   2.41778   2.42277   2.43098   2.43225
 Alpha virt. eigenvalues --    2.44612   2.44674   2.46052   2.46975   2.47512
 Alpha virt. eigenvalues --    2.48759   2.49599   2.51097   2.51505   2.52164
 Alpha virt. eigenvalues --    2.52959   2.53379   2.54115   2.55035   2.56049
 Alpha virt. eigenvalues --    2.56979   2.57619   2.59480   2.59924   2.60444
 Alpha virt. eigenvalues --    2.61436   2.63418   2.64011   2.64226   2.64860
 Alpha virt. eigenvalues --    2.65604   2.66485   2.68442   2.68903   2.70588
 Alpha virt. eigenvalues --    2.71705   2.73281   2.73675   2.73784   2.75720
 Alpha virt. eigenvalues --    2.76518   2.77283   2.78918   2.80092   2.80529
 Alpha virt. eigenvalues --    2.81174   2.82226   2.82630   2.83544   2.83841
 Alpha virt. eigenvalues --    2.85968   2.88983   2.89556   2.91410   2.92052
 Alpha virt. eigenvalues --    2.93334   2.95424   2.96430   2.96745   2.97429
 Alpha virt. eigenvalues --    2.98128   3.01433   3.02437   3.03492   3.04468
 Alpha virt. eigenvalues --    3.05119   3.06509   3.07803   3.13572   3.14451
 Alpha virt. eigenvalues --    3.30683   3.33656   3.43666   3.54828   3.58996
 Alpha virt. eigenvalues --    3.64117   3.66391   3.76513   3.94577   4.01470
 Alpha virt. eigenvalues --    4.07870   4.13248   4.31180   4.41485   4.64017
 Alpha virt. eigenvalues --    4.66209   4.87736   5.06531   5.36132   7.20557
 Alpha virt. eigenvalues --   31.75354
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   19.751264  -5.634779  -3.904437  -1.041611   0.168802   0.069653
     2  C   -5.634779  45.436443  -5.831462  -2.024272  -0.426783  -0.811500
     3  C   -3.904437  -5.831462  39.177627  -0.205845  -0.409892  -0.753719
     4  C   -1.041611  -2.024272  -0.205845  15.403241   0.037917   0.307215
     5  C    0.168802  -0.426783  -0.409892   0.037917   6.495372   0.450416
     6  C    0.069653  -0.811500  -0.753719   0.307215   0.450416   7.048974
     7  C    0.828619  -1.904678 -14.368898  -3.973210  -0.706404   0.185053
     8  C   -1.577451  -6.251470   0.854936  -1.380681   0.083901  -0.542202
     9  C   -1.872672 -13.646926  -8.370679  -0.354823  -0.012108   0.005826
    10  C   -0.196848  -2.366125  -1.426643   0.036347  -0.041821   0.184846
    11  C   -0.068638  -1.914932   0.326772  -0.037318   0.040168  -0.281776
    12  C    0.510410  -0.826425  -0.287319   0.053617  -0.082973   0.100652
    13  C    0.133914  -0.295991   0.183590  -0.136397   0.058246   0.003257
    14  C    0.176316   0.345874  -0.274906   0.142542  -0.078769   0.003511
    15  C   -0.035905  -0.798667   0.297915  -0.175456   0.095878  -0.031240
    16  C   -0.147545   0.885214  -0.038263   0.031959   0.005021  -0.076283
    17  C    0.021065   0.396499   0.128664  -0.013972   0.026744  -0.008189
    18  C    0.026873   0.137728  -0.069170  -0.004575  -0.000529   0.001036
    19  C    0.007083   0.021386   0.006946   0.001820   0.000421   0.000350
    20  C   -0.005038  -0.015062   0.051488   0.022212  -0.007177  -0.000197
    21  Zr  -0.783910  -0.348399  -0.266854  -1.087615  -0.427935  -0.113630
    22  Cl  -0.049988   0.018312   0.052781   0.010575  -0.017407   0.011205
    23  Cl  -0.007830   0.044354  -0.049621   0.035522  -0.003603   0.002597
    24  H   -0.010822  -0.109258   0.109408   0.054412   0.002533   0.000565
    25  H   -0.036643  -0.048663   1.171981  -0.366342   0.041044  -0.004937
    26  H    0.257923   0.029301  -0.336780  -0.197736   0.042081  -0.350152
    27  H   -1.599744   0.783558   0.645534   0.135978  -0.008271   0.197379
    28  H   -0.570429   0.977116  -0.156923   0.237332  -0.026174  -0.255507
    29  H    0.632457  -0.585793   0.010702  -0.205447  -0.022687  -0.324885
    30  H   -0.120923  -0.126641  -0.263664   0.432515  -0.227068  -0.077818
    31  H    0.169664  -0.030877   0.205167   0.026906  -0.265036  -0.012697
    32  H   -0.150489   0.512427   0.117828  -0.633747  -0.063828  -0.041157
    33  H    0.049442  -0.233399   0.509639  -0.230293   0.251517   0.033567
    34  H   -0.239681   0.993314   0.470734   0.028478  -0.000806  -0.003994
    35  H    0.024858  -0.509603  -0.442023  -0.021725  -0.009729   0.007380
    36  H   -0.006731   0.108829  -0.142392  -0.024856   0.017736   0.044432
    37  H    0.007830   0.125377   0.046941   0.003217  -0.002745  -0.013151
    38  H   -0.071547  -0.019651  -0.016688   0.000301   0.001499   0.025941
    39  H   -0.005176   0.011965   0.002806  -0.019170   0.001670   0.003147
    40  H   -0.004161   0.066927   0.032202   0.002053   0.000639   0.000582
    41  H   -0.005396   0.042029  -0.007844   0.001772   0.004715  -0.003170
    42  H   -0.000031  -0.004663  -0.004660  -0.000463  -0.000153  -0.000107
    43  H    0.005933   0.010989   0.019217   0.006906   0.000951   0.000445
    44  H    0.000450   0.004957   0.001496   0.000340   0.000030   0.000076
    45  H   -0.000004  -0.007493   0.001056   0.000359   0.000038  -0.000091
    46  H    0.004985  -0.001547   0.015246   0.009751  -0.000045   0.000913
    47  H    0.000428  -0.002681   0.004882   0.002086  -0.000310   0.000314
               7          8          9         10         11         12
     1  C    0.828619  -1.577451  -1.872672  -0.196848  -0.068638   0.510410
     2  C   -1.904678  -6.251470 -13.646926  -2.366125  -1.914932  -0.826425
     3  C  -14.368898   0.854936  -8.370679  -1.426643   0.326772  -0.287319
     4  C   -3.973210  -1.380681  -0.354823   0.036347  -0.037318   0.053617
     5  C   -0.706404   0.083901  -0.012108  -0.041821   0.040168  -0.082973
     6  C    0.185053  -0.542202   0.005826   0.184846  -0.281776   0.100652
     7  C   36.974995 -10.437722   2.696587  -1.032858  -0.025291  -0.030676
     8  C  -10.437722  35.442069 -12.042804   1.098806  -0.443942   0.447821
     9  C    2.696587 -12.042804  41.924016  -2.600392   2.195179  -1.605076
    10  C   -1.032858   1.098806  -2.600392  15.524467  -1.555032   2.867996
    11  C   -0.025291  -0.443942   2.195179  -1.555032  14.978704  -3.222672
    12  C   -0.030676   0.447821  -1.605076   2.867996  -3.222672  52.610907
    13  C   -0.454166   1.334239  -1.215195  -1.217859  -2.920224 -17.413720
    14  C    0.445244  -0.683836   0.006421   0.020779  -0.587256  -9.420890
    15  C   -1.153400   1.088322   0.253850   0.001733  -1.421700   2.369367
    16  C    1.080107  -1.468810   0.863452  -1.231768   2.805332 -11.407196
    17  C   -0.243371   0.158293   0.172774  -0.253945  -0.068148  -6.884750
    18  C    0.050398   0.106602  -0.151044   0.009155  -0.139393  -0.735860
    19  C    0.007372  -0.016195  -0.019514   0.017729  -0.079973  -0.016550
    20  C   -0.114286   0.164869  -0.142233   0.001624  -0.125867   0.073645
    21  Zr  -0.007390   2.133115  -1.469369  -1.357399  -0.631337  -2.171511
    22  Cl  -0.103601   0.050604  -0.014869   0.008502   0.013584  -0.037811
    23  Cl  -0.090037   0.151237  -0.140076   0.025600  -0.017888   0.004581
    24  H    0.695402  -3.347998   1.473190  -0.052048  -0.074343   0.202237
    25  H   -2.770493   0.819905   0.121194   0.131231   0.012426  -0.036656
    26  H    0.171312  -0.226752   0.228952   0.167833  -0.370557   0.666043
    27  H   -0.202313   0.104220  -0.466265  -0.260139   0.106430  -0.351468
    28  H   -0.030447  -0.004226  -0.105779   0.025342   0.011924  -0.036979
    29  H    0.108161  -0.073571   0.195422  -0.034048  -0.001474   0.013567
    30  H   -0.062116  -0.048783   0.105073   0.015189  -0.004596   0.009133
    31  H    0.031429   0.029837  -0.029435  -0.003999   0.000278   0.003478
    32  H    0.016731  -0.147149   0.241785   0.021301  -0.008322   0.000787
    33  H   -0.047012  -0.155376  -0.108007  -0.027258   0.015593  -0.000502
    34  H   -0.285104  -0.021027  -0.159741  -1.024061  -0.571843   0.246741
    35  H    0.239804   0.482654  -0.696329  -0.062339   0.446686  -0.300210
    36  H   -0.051085   0.174215  -0.393758   0.601621  -0.686187   0.086461
    37  H    0.019562  -0.121817   0.363152  -0.632325  -0.648929  -0.792587
    38  H    0.071960  -0.006451   0.240679  -0.117157  -0.286781   1.275301
    39  H   -0.046220   0.040935  -0.058720   0.036664   0.055548   0.181417
    40  H   -0.036268  -0.064431   0.080610  -0.004226  -0.227357  -0.147051
    41  H    0.140306   0.027874   0.014019  -0.305257   0.100611   0.149218
    42  H   -0.002360   0.030622  -0.052917   0.026257   0.023643  -0.095338
    43  H    0.016573  -0.121275   0.110000  -0.043569  -0.000163   0.030233
    44  H   -0.002096   0.000698  -0.001108  -0.002193  -0.005785   0.046664
    45  H    0.004111  -0.010421   0.006070   0.000602  -0.005752   0.028215
    46  H   -0.023611   0.000645  -0.014091   0.015300  -0.033392  -0.103106
    47  H   -0.010653   0.010615  -0.003419   0.000554   0.016203   0.086217
              13         14         15         16         17         18
     1  C    0.133914   0.176316  -0.035905  -0.147545   0.021065   0.026873
     2  C   -0.295991   0.345874  -0.798667   0.885214   0.396499   0.137728
     3  C    0.183590  -0.274906   0.297915  -0.038263   0.128664  -0.069170
     4  C   -0.136397   0.142542  -0.175456   0.031959  -0.013972  -0.004575
     5  C    0.058246  -0.078769   0.095878   0.005021   0.026744  -0.000529
     6  C    0.003257   0.003511  -0.031240  -0.076283  -0.008189   0.001036
     7  C   -0.454166   0.445244  -1.153400   1.080107  -0.243371   0.050398
     8  C    1.334239  -0.683836   1.088322  -1.468810   0.158293   0.106602
     9  C   -1.215195   0.006421   0.253850   0.863452   0.172774  -0.151044
    10  C   -1.217859   0.020779   0.001733  -1.231768  -0.253945   0.009155
    11  C   -2.920224  -0.587256  -1.421700   2.805332  -0.068148  -0.139393
    12  C  -17.413720  -9.420890   2.369367 -11.407196  -6.884750  -0.735860
    13  C   52.326804  -7.280151  -0.946237 -10.278035  -4.015252  -1.074341
    14  C   -7.280151  41.561182 -16.765185   2.368236  -2.418720  -0.206462
    15  C   -0.946237 -16.765185  39.386955 -11.988221   2.076023  -0.566391
    16  C  -10.278035   2.368236 -11.988221  38.460982  -2.905472  -0.092025
    17  C   -4.015252  -2.418720   2.076023  -2.905472  21.109546   0.357451
    18  C   -1.074341  -0.206462  -0.566391  -0.092025   0.357451   7.164377
    19  C   -0.274623  -1.210627  -0.208472  -0.609018   0.016750   0.620029
    20  C   -1.865268  -1.028939  -4.042065  -1.246212  -0.991947   0.383437
    21  Zr  -0.079011  -0.862918   0.841073   3.025459  -0.622689  -0.562628
    22  Cl   0.055976  -0.044638  -0.120290   0.080044  -0.010793   0.002848
    23  Cl  -0.156561   0.168790  -0.125933   0.005259  -0.027888   0.043064
    24  H    0.014204  -0.053108   0.070418   0.023404  -0.099583  -0.007875
    25  H   -0.003328  -0.002169  -0.040857   0.043035  -0.010842  -0.005154
    26  H   -0.014571   0.181797   0.039625  -0.526996  -0.004397   0.008771
    27  H    0.084918   0.006359  -0.007771   0.108150  -0.003469   0.002803
    28  H   -0.011991  -0.003120   0.004653   0.012658  -0.001673  -0.000089
    29  H   -0.000871   0.005298  -0.006060  -0.003939  -0.001067  -0.000012
    30  H   -0.009365  -0.005630   0.016753  -0.044423   0.002997   0.000263
    31  H    0.007421  -0.000119   0.002723  -0.002870   0.001181   0.000014
    32  H   -0.012919   0.007954  -0.008163   0.002581  -0.001852  -0.000069
    33  H    0.007803   0.020454  -0.029450  -0.009731   0.007803  -0.000948
    34  H    0.067595   0.067381  -0.006323  -0.066247   0.011624  -0.006315
    35  H    0.340662  -0.147242  -0.000239   0.021136  -0.215716  -0.009092
    36  H   -0.677789  -0.385784   0.322035   0.176989  -0.036019  -0.041983
    37  H    1.009809   0.477447  -0.390553   0.220672  -0.199130   0.056040
    38  H    0.523333  -0.212537   0.785883  -3.343017   0.096842  -0.001712
    39  H   -0.500497   1.901845  -3.487147   0.984745  -0.086915   0.009457
    40  H   -0.766826   0.579483  -0.025673   0.077261   0.272768  -0.052140
    41  H    1.324950  -0.436408   0.035278  -0.132337  -1.212072   0.289626
    42  H    0.988186   0.018554  -0.072966   0.030985  -0.310777  -0.506263
    43  H   -0.850182  -0.159203   0.026179  -0.085487   0.629501  -0.167610
    44  H   -0.195297   0.529314   0.046066  -0.017287   0.197950   0.160534
    45  H   -0.022956  -0.224157  -0.021166  -0.084366  -0.036760  -0.189626
    46  H   -0.363751  -0.233140  -0.103483  -0.145499  -0.176418  -0.020802
    47  H    0.636962   0.623943   0.012317  -0.092630   0.021611   0.006369
              19         20         21         22         23         24
     1  C    0.007083  -0.005038  -0.783910  -0.049988  -0.007830  -0.010822
     2  C    0.021386  -0.015062  -0.348399   0.018312   0.044354  -0.109258
     3  C    0.006946   0.051488  -0.266854   0.052781  -0.049621   0.109408
     4  C    0.001820   0.022212  -1.087615   0.010575   0.035522   0.054412
     5  C    0.000421  -0.007177  -0.427935  -0.017407  -0.003603   0.002533
     6  C    0.000350  -0.000197  -0.113630   0.011205   0.002597   0.000565
     7  C    0.007372  -0.114286  -0.007390  -0.103601  -0.090037   0.695402
     8  C   -0.016195   0.164869   2.133115   0.050604   0.151237  -3.347998
     9  C   -0.019514  -0.142233  -1.469369  -0.014869  -0.140076   1.473190
    10  C    0.017729   0.001624  -1.357399   0.008502   0.025600  -0.052048
    11  C   -0.079973  -0.125867  -0.631337   0.013584  -0.017888  -0.074343
    12  C   -0.016550   0.073645  -2.171511  -0.037811   0.004581   0.202237
    13  C   -0.274623  -1.865268  -0.079011   0.055976  -0.156561   0.014204
    14  C   -1.210627  -1.028939  -0.862918  -0.044638   0.168790  -0.053108
    15  C   -0.208472  -4.042065   0.841073  -0.120290  -0.125933   0.070418
    16  C   -0.609018  -1.246212   3.025459   0.080044   0.005259   0.023404
    17  C    0.016750  -0.991947  -0.622689  -0.010793  -0.027888  -0.099583
    18  C    0.620029   0.383437  -0.562628   0.002848   0.043064  -0.007875
    19  C    6.632981   0.956927  -0.483417   0.004630   0.039899  -0.005201
    20  C    0.956927  14.581270  -1.252429  -0.008434   0.070741  -0.028901
    21  Zr  -0.483417  -1.252429  18.836042   0.238777   0.159995  -0.205609
    22  Cl   0.004630  -0.008434   0.238777  17.194322  -0.097467   0.005733
    23  Cl   0.039899   0.070741   0.159995  -0.097467  17.205022  -0.021412
    24  H   -0.005201  -0.028901  -0.205609   0.005733  -0.021412   3.576553
    25  H   -0.002779  -0.018207  -0.058751   0.007025  -0.001434  -0.030069
    26  H    0.006558   0.045051  -0.454375   0.002247   0.002103  -0.005883
    27  H    0.001285   0.001750   0.253692  -0.004041   0.000273   0.013518
    28  H   -0.000093  -0.000951   0.003192  -0.003018   0.000139   0.001915
    29  H    0.000032   0.000761   0.009179  -0.000013   0.000507   0.000835
    30  H    0.000116  -0.001866   0.078785  -0.013006  -0.000121   0.003016
    31  H    0.000098   0.000296  -0.030002   0.012331  -0.000104  -0.000786
    32  H    0.000431   0.000499   0.101814  -0.017089  -0.002002   0.010775
    33  H    0.000766   0.001749  -0.230206  -0.002942   0.002249  -0.005520
    34  H   -0.003071   0.001935   0.169000   0.000665  -0.000383   0.050085
    35  H    0.014332  -0.007338   0.063110   0.000559   0.003790  -0.141318
    36  H   -0.010459  -0.030086   0.164247   0.003667  -0.001922  -0.010345
    37  H   -0.004805   0.035151   0.106375  -0.001112   0.000632   0.001631
    38  H   -0.012182  -0.057334  -0.312564  -0.019606   0.006288   0.005232
    39  H    0.017537   0.023016  -0.118745   0.026136   0.001464  -0.002412
    40  H   -0.074123  -0.086346   0.229731  -0.000410  -0.003759   0.009155
    41  H   -0.006019   0.080799  -0.379507  -0.001489   0.006518  -0.038078
    42  H   -0.043459   0.067162   0.060611   0.000261  -0.005965   0.002428
    43  H    0.007344   0.066874  -0.068725  -0.001644   0.018140  -0.000975
    44  H   -0.454732  -0.207246  -0.068802  -0.000217  -0.001407  -0.000370
    45  H   -0.082202   0.287706   0.053550   0.000549   0.002199  -0.004454
    46  H    0.209360   0.963246  -0.265271   0.000189   0.024709  -0.010838
    47  H   -0.021936  -1.517729   0.103823  -0.001349  -0.011553   0.002104
              25         26         27         28         29         30
     1  C   -0.036643   0.257923  -1.599744  -0.570429   0.632457  -0.120923
     2  C   -0.048663   0.029301   0.783558   0.977116  -0.585793  -0.126641
     3  C    1.171981  -0.336780   0.645534  -0.156923   0.010702  -0.263664
     4  C   -0.366342  -0.197736   0.135978   0.237332  -0.205447   0.432515
     5  C    0.041044   0.042081  -0.008271  -0.026174  -0.022687  -0.227068
     6  C   -0.004937  -0.350152   0.197379  -0.255507  -0.324885  -0.077818
     7  C   -2.770493   0.171312  -0.202313  -0.030447   0.108161  -0.062116
     8  C    0.819905  -0.226752   0.104220  -0.004226  -0.073571  -0.048783
     9  C    0.121194   0.228952  -0.466265  -0.105779   0.195422   0.105073
    10  C    0.131231   0.167833  -0.260139   0.025342  -0.034048   0.015189
    11  C    0.012426  -0.370557   0.106430   0.011924  -0.001474  -0.004596
    12  C   -0.036656   0.666043  -0.351468  -0.036979   0.013567   0.009133
    13  C   -0.003328  -0.014571   0.084918  -0.011991  -0.000871  -0.009365
    14  C   -0.002169   0.181797   0.006359  -0.003120   0.005298  -0.005630
    15  C   -0.040857   0.039625  -0.007771   0.004653  -0.006060   0.016753
    16  C    0.043035  -0.526996   0.108150   0.012658  -0.003939  -0.044423
    17  C   -0.010842  -0.004397  -0.003469  -0.001673  -0.001067   0.002997
    18  C   -0.005154   0.008771   0.002803  -0.000089  -0.000012   0.000263
    19  C   -0.002779   0.006558   0.001285  -0.000093   0.000032   0.000116
    20  C   -0.018207   0.045051   0.001750  -0.000951   0.000761  -0.001866
    21  Zr  -0.058751  -0.454375   0.253692   0.003192   0.009179   0.078785
    22  Cl   0.007025   0.002247  -0.004041  -0.003018  -0.000013  -0.013006
    23  Cl  -0.001434   0.002103   0.000273   0.000139   0.000507  -0.000121
    24  H   -0.030069  -0.005883   0.013518   0.001915   0.000835   0.003016
    25  H    3.072131   0.002792  -0.014891  -0.001048   0.005771   0.002279
    26  H    0.002792   2.942879  -0.742730  -0.327132   0.247704   0.032635
    27  H   -0.014891  -0.742730   2.754267   0.051367  -0.247364  -0.011411
    28  H   -0.001048  -0.327132   0.051367   2.168213  -0.539772  -0.064776
    29  H    0.005771   0.247704  -0.247364  -0.539772   2.230101   0.127131
    30  H    0.002279   0.032635  -0.011411  -0.064776   0.127131   2.359930
    31  H    0.001234   0.022763   0.023502  -0.105668  -0.104109  -0.545406
    32  H    0.028197  -0.024837   0.017498   0.023947  -0.009769   0.151821
    33  H   -0.033590   0.016243  -0.007660   0.020235   0.000441  -0.274966
    34  H   -0.009323   0.014276   0.043920  -0.000239   0.001471   0.001360
    35  H    0.015699  -0.012097  -0.002709   0.000788  -0.003762   0.000201
    36  H    0.006256  -0.050407  -0.056236  -0.003140   0.008755   0.001876
    37  H   -0.000827  -0.000119   0.031534   0.000793  -0.001586  -0.000794
    38  H   -0.004295  -0.009344   0.029563   0.005760  -0.008286  -0.001624
    39  H    0.006966   0.008487  -0.002783  -0.000943   0.000611  -0.002105
    40  H   -0.001664  -0.002667   0.000292  -0.000014   0.000015   0.000480
    41  H    0.002986   0.005758  -0.000103  -0.000445  -0.000143  -0.001461
    42  H   -0.001804   0.000056   0.000042   0.000002  -0.000024   0.000001
    43  H    0.000833   0.000929   0.000959   0.000029   0.000001   0.000457
    44  H   -0.000153   0.000284   0.000062  -0.000004   0.000002   0.000056
    45  H    0.000229   0.000844   0.000095  -0.000022   0.000003  -0.000070
    46  H   -0.003591   0.008982   0.000445  -0.000171   0.000295   0.000225
    47  H   -0.000450  -0.001028   0.000070   0.000000   0.000025   0.000157
              31         32         33         34         35         36
     1  C    0.169664  -0.150489   0.049442  -0.239681   0.024858  -0.006731
     2  C   -0.030877   0.512427  -0.233399   0.993314  -0.509603   0.108829
     3  C    0.205167   0.117828   0.509639   0.470734  -0.442023  -0.142392
     4  C    0.026906  -0.633747  -0.230293   0.028478  -0.021725  -0.024856
     5  C   -0.265036  -0.063828   0.251517  -0.000806  -0.009729   0.017736
     6  C   -0.012697  -0.041157   0.033567  -0.003994   0.007380   0.044432
     7  C    0.031429   0.016731  -0.047012  -0.285104   0.239804  -0.051085
     8  C    0.029837  -0.147149  -0.155376  -0.021027   0.482654   0.174215
     9  C   -0.029435   0.241785  -0.108007  -0.159741  -0.696329  -0.393758
    10  C   -0.003999   0.021301  -0.027258  -1.024061  -0.062339   0.601621
    11  C    0.000278  -0.008322   0.015593  -0.571843   0.446686  -0.686187
    12  C    0.003478   0.000787  -0.000502   0.246741  -0.300210   0.086461
    13  C    0.007421  -0.012919   0.007803   0.067595   0.340662  -0.677789
    14  C   -0.000119   0.007954   0.020454   0.067381  -0.147242  -0.385784
    15  C    0.002723  -0.008163  -0.029450  -0.006323  -0.000239   0.322035
    16  C   -0.002870   0.002581  -0.009731  -0.066247   0.021136   0.176989
    17  C    0.001181  -0.001852   0.007803   0.011624  -0.215716  -0.036019
    18  C    0.000014  -0.000069  -0.000948  -0.006315  -0.009092  -0.041983
    19  C    0.000098   0.000431   0.000766  -0.003071   0.014332  -0.010459
    20  C    0.000296   0.000499   0.001749   0.001935  -0.007338  -0.030086
    21  Zr  -0.030002   0.101814  -0.230206   0.169000   0.063110   0.164247
    22  Cl   0.012331  -0.017089  -0.002942   0.000665   0.000559   0.003667
    23  Cl  -0.000104  -0.002002   0.002249  -0.000383   0.003790  -0.001922
    24  H   -0.000786   0.010775  -0.005520   0.050085  -0.141318  -0.010345
    25  H    0.001234   0.028197  -0.033590  -0.009323   0.015699   0.006256
    26  H    0.022763  -0.024837   0.016243   0.014276  -0.012097  -0.050407
    27  H    0.023502   0.017498  -0.007660   0.043920  -0.002709  -0.056236
    28  H   -0.105668   0.023947   0.020235  -0.000239   0.000788  -0.003140
    29  H   -0.104109  -0.009769   0.000441   0.001471  -0.003762   0.008755
    30  H   -0.545406   0.151821  -0.274966   0.001360   0.000201   0.001876
    31  H    2.063303  -0.198421   0.021287  -0.000698  -0.000871  -0.002707
    32  H   -0.198421   1.967149  -0.699596   0.002747   0.000107  -0.002293
    33  H    0.021287  -0.699596   2.368208   0.000290  -0.004190  -0.000024
    34  H   -0.000698   0.002747   0.000290   2.315586  -0.697620  -0.152172
    35  H   -0.000871   0.000107  -0.004190  -0.697620   3.087242   0.229249
    36  H   -0.002707  -0.002293  -0.000024  -0.152172   0.229249   3.203593
    37  H    0.000228  -0.000005   0.000737   0.076331  -0.175350  -0.718236
    38  H    0.000500   0.001010  -0.006094   0.005178  -0.015814  -0.167523
    39  H    0.000142  -0.000524  -0.001511  -0.000232   0.006896   0.017593
    40  H    0.000025   0.000074   0.000428   0.013788  -0.039263   0.002555
    41  H    0.000498  -0.002305   0.004544   0.003823   0.030210  -0.020804
    42  H   -0.000010   0.000031  -0.000095   0.002098   0.000794  -0.000856
    43  H    0.000077   0.000375   0.001293  -0.003183   0.000443  -0.003617
    44  H    0.000012   0.000042   0.000117  -0.000060  -0.003559  -0.000989
    45  H    0.000010   0.000008   0.000179  -0.000441   0.004145  -0.000881
    46  H    0.000139   0.000168   0.000837   0.000933  -0.000967  -0.004024
    47  H    0.000025   0.000087   0.000564   0.000308  -0.000510  -0.001515
              37         38         39         40         41         42
     1  C    0.007830  -0.071547  -0.005176  -0.004161  -0.005396  -0.000031
     2  C    0.125377  -0.019651   0.011965   0.066927   0.042029  -0.004663
     3  C    0.046941  -0.016688   0.002806   0.032202  -0.007844  -0.004660
     4  C    0.003217   0.000301  -0.019170   0.002053   0.001772  -0.000463
     5  C   -0.002745   0.001499   0.001670   0.000639   0.004715  -0.000153
     6  C   -0.013151   0.025941   0.003147   0.000582  -0.003170  -0.000107
     7  C    0.019562   0.071960  -0.046220  -0.036268   0.140306  -0.002360
     8  C   -0.121817  -0.006451   0.040935  -0.064431   0.027874   0.030622
     9  C    0.363152   0.240679  -0.058720   0.080610   0.014019  -0.052917
    10  C   -0.632325  -0.117157   0.036664  -0.004226  -0.305257   0.026257
    11  C   -0.648929  -0.286781   0.055548  -0.227357   0.100611   0.023643
    12  C   -0.792587   1.275301   0.181417  -0.147051   0.149218  -0.095338
    13  C    1.009809   0.523333  -0.500497  -0.766826   1.324950   0.988186
    14  C    0.477447  -0.212537   1.901845   0.579483  -0.436408   0.018554
    15  C   -0.390553   0.785883  -3.487147  -0.025673   0.035278  -0.072966
    16  C    0.220672  -3.343017   0.984745   0.077261  -0.132337   0.030985
    17  C   -0.199130   0.096842  -0.086915   0.272768  -1.212072  -0.310777
    18  C    0.056040  -0.001712   0.009457  -0.052140   0.289626  -0.506263
    19  C   -0.004805  -0.012182   0.017537  -0.074123  -0.006019  -0.043459
    20  C    0.035151  -0.057334   0.023016  -0.086346   0.080799   0.067162
    21  Zr   0.106375  -0.312564  -0.118745   0.229731  -0.379507   0.060611
    22  Cl  -0.001112  -0.019606   0.026136  -0.000410  -0.001489   0.000261
    23  Cl   0.000632   0.006288   0.001464  -0.003759   0.006518  -0.005965
    24  H    0.001631   0.005232  -0.002412   0.009155  -0.038078   0.002428
    25  H   -0.000827  -0.004295   0.006966  -0.001664   0.002986  -0.001804
    26  H   -0.000119  -0.009344   0.008487  -0.002667   0.005758   0.000056
    27  H    0.031534   0.029563  -0.002783   0.000292  -0.000103   0.000042
    28  H    0.000793   0.005760  -0.000943  -0.000014  -0.000445   0.000002
    29  H   -0.001586  -0.008286   0.000611   0.000015  -0.000143  -0.000024
    30  H   -0.000794  -0.001624  -0.002105   0.000480  -0.001461   0.000001
    31  H    0.000228   0.000500   0.000142   0.000025   0.000498  -0.000010
    32  H   -0.000005   0.001010  -0.000524   0.000074  -0.002305   0.000031
    33  H    0.000737  -0.006094  -0.001511   0.000428   0.004544  -0.000095
    34  H    0.076331   0.005178  -0.000232   0.013788   0.003823   0.002098
    35  H   -0.175350  -0.015814   0.006896  -0.039263   0.030210   0.000794
    36  H   -0.718236  -0.167523   0.017593   0.002555  -0.020804  -0.000856
    37  H    2.401419   0.055575  -0.015230  -0.009599   0.028133   0.008415
    38  H    0.055575   3.666850  -0.046235   0.018909  -0.006358   0.002228
    39  H   -0.015230  -0.046235   3.075043  -0.009346  -0.003633  -0.001907
    40  H   -0.009599   0.018909  -0.009346   2.192333  -0.741524  -0.211144
    41  H    0.028133  -0.006358  -0.003633  -0.741524   2.695016  -0.055336
    42  H    0.008415   0.002228  -0.001907  -0.211144  -0.055336   2.256981
    43  H    0.001625  -0.000379  -0.002571   0.169969  -0.225335  -0.622689
    44  H   -0.000836  -0.000280  -0.000457   0.021551   0.030979  -0.102474
    45  H    0.002236  -0.000798   0.007069  -0.002038   0.009069  -0.116032
    46  H    0.003789  -0.013392  -0.012991  -0.026012   0.017392  -0.000185
    47  H    0.001451   0.016701   0.007479   0.020825  -0.016624   0.018488
              43         44         45         46         47
     1  C    0.005933   0.000450  -0.000004   0.004985   0.000428
     2  C    0.010989   0.004957  -0.007493  -0.001547  -0.002681
     3  C    0.019217   0.001496   0.001056   0.015246   0.004882
     4  C    0.006906   0.000340   0.000359   0.009751   0.002086
     5  C    0.000951   0.000030   0.000038  -0.000045  -0.000310
     6  C    0.000445   0.000076  -0.000091   0.000913   0.000314
     7  C    0.016573  -0.002096   0.004111  -0.023611  -0.010653
     8  C   -0.121275   0.000698  -0.010421   0.000645   0.010615
     9  C    0.110000  -0.001108   0.006070  -0.014091  -0.003419
    10  C   -0.043569  -0.002193   0.000602   0.015300   0.000554
    11  C   -0.000163  -0.005785  -0.005752  -0.033392   0.016203
    12  C    0.030233   0.046664   0.028215  -0.103106   0.086217
    13  C   -0.850182  -0.195297  -0.022956  -0.363751   0.636962
    14  C   -0.159203   0.529314  -0.224157  -0.233140   0.623943
    15  C    0.026179   0.046066  -0.021166  -0.103483   0.012317
    16  C   -0.085487  -0.017287  -0.084366  -0.145499  -0.092630
    17  C    0.629501   0.197950  -0.036760  -0.176418   0.021611
    18  C   -0.167610   0.160534  -0.189626  -0.020802   0.006369
    19  C    0.007344  -0.454732  -0.082202   0.209360  -0.021936
    20  C    0.066874  -0.207246   0.287706   0.963246  -1.517729
    21  Zr  -0.068725  -0.068802   0.053550  -0.265271   0.103823
    22  Cl  -0.001644  -0.000217   0.000549   0.000189  -0.001349
    23  Cl   0.018140  -0.001407   0.002199   0.024709  -0.011553
    24  H   -0.000975  -0.000370  -0.004454  -0.010838   0.002104
    25  H    0.000833  -0.000153   0.000229  -0.003591  -0.000450
    26  H    0.000929   0.000284   0.000844   0.008982  -0.001028
    27  H    0.000959   0.000062   0.000095   0.000445   0.000070
    28  H    0.000029  -0.000004  -0.000022  -0.000171   0.000000
    29  H    0.000001   0.000002   0.000003   0.000295   0.000025
    30  H    0.000457   0.000056  -0.000070   0.000225   0.000157
    31  H    0.000077   0.000012   0.000010   0.000139   0.000025
    32  H    0.000375   0.000042   0.000008   0.000168   0.000087
    33  H    0.001293   0.000117   0.000179   0.000837   0.000564
    34  H   -0.003183  -0.000060  -0.000441   0.000933   0.000308
    35  H    0.000443  -0.003559   0.004145  -0.000967  -0.000510
    36  H   -0.003617  -0.000989  -0.000881  -0.004024  -0.001515
    37  H    0.001625  -0.000836   0.002236   0.003789   0.001451
    38  H   -0.000379  -0.000280  -0.000798  -0.013392   0.016701
    39  H   -0.002571  -0.000457   0.007069  -0.012991   0.007479
    40  H    0.169969   0.021551  -0.002038  -0.026012   0.020825
    41  H   -0.225335   0.030979   0.009069   0.017392  -0.016624
    42  H   -0.622689  -0.102474  -0.116032  -0.000185   0.018488
    43  H    2.573063  -0.058314   0.137295   0.059489  -0.010266
    44  H   -0.058314   2.056431  -0.482619  -0.226149   0.034093
    45  H    0.137295  -0.482619   2.230851   0.179375  -0.220412
    46  H    0.059489  -0.226149   0.179375   2.271977  -0.714788
    47  H   -0.010266   0.034093  -0.220412  -0.714788   2.293321
 Mulliken charges:
               1
     1  C    1.300459
     2  C   -0.174861
     3  C   -0.816874
     4  C    1.110178
     5  C    1.014912
     6  C    1.017072
     7  C    0.432038
     8  C    0.357355
     9  C    0.449099
    10  C    1.009833
    11  C    1.317787
    12  C   -0.057383
    13  C   -0.048496
    14  C   -0.932809
    15  C    0.805971
    16  C    0.730994
    17  C    1.155744
    18  C    1.175236
    19  C    1.047265
    20  C    0.918949
    21  Zr   0.089428
    22  Cl  -0.230288
    23  Cl  -0.258708
    24  H   -1.061548
    25  H   -0.984257
    26  H   -0.495667
    27  H   -0.410096
    28  H   -0.294634
    29  H   -0.424564
    30  H   -0.433817
    31  H   -0.290753
    32  H   -0.203642
    33  H   -0.227611
    34  H   -0.337100
    35  H   -0.501134
    36  H   -0.485291
    37  H   -0.356368
    38  H   -1.077885
    39  H   -1.003167
    40  H   -0.256610
    41  H   -0.444477
    42  H   -0.325168
    43  H   -0.470937
    44  H   -0.299770
    45  H   -0.443107
    46  H   -0.291126
    47  H   -0.294174
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.394696
     2  C   -0.174861
     3  C   -0.816874
     4  C    0.678924
     5  C    0.290341
     6  C    0.297875
     7  C   -0.552219
     8  C   -0.704193
     9  C    0.449099
    10  C    0.171599
    11  C    0.476128
    12  C   -0.057383
    13  C   -0.048496
    14  C   -0.932809
    15  C   -0.197196
    16  C   -0.346891
    17  C    0.454658
    18  C    0.379131
    19  C    0.304388
    20  C    0.333649
    21  Zr   0.089428
    22  Cl  -0.230288
    23  Cl  -0.258708
 Electronic spatial extent (au):  <R**2>=           7211.9387
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2416    Y=              5.0741    Z=             -0.1885  Tot=              5.0834
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -159.3843   YY=           -173.1413   ZZ=           -170.4293
   XY=             -0.1062   XZ=              1.5982   YZ=              0.1426
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              8.2674   YY=             -5.4897   ZZ=             -2.7777
   XY=             -0.1062   XZ=              1.5982   YZ=              0.1426
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.4584  YYY=              8.9128  ZZZ=             -0.2202  XYY=             -1.7626
  XXY=             -9.3865  XXZ=             -0.3852  XZZ=              1.7846  YZZ=             -9.2709
  YYZ=              1.5313  XYZ=            -22.6219
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5874.5856 YYYY=          -2351.0497 ZZZZ=          -1623.2321 XXXY=             -7.2537
 XXXZ=            -25.3260 YYYX=              1.4273 YYYZ=             -5.0568 ZZZX=            -30.2899
 ZZZY=              4.8682 XXYY=          -1390.2624 XXZZ=          -1291.7065 YYZZ=           -677.0610
 XXYZ=             -1.4271 YYXZ=             15.3330 ZZXY=              1.1184
 N-N= 2.554176194561D+03 E-N=-9.186924606112D+03  KE= 1.703771272447D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Jul 18 09:45:13 2021, MaxMem=  5637144576 cpu:              18.9 elap:               3.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 9.50660282D-02 1.97034318D+00-7.55367483D-02
 Polarizability= 3.19823662D+02-3.23465241D-01 2.57041464D+02
                -3.75546137D+00 4.33822230D-01 2.38012479D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.4003    2.4003       -0.2326   -0.2245
 2     -2.4003   -2.4003       -0.2289   -0.2293      -34.0971  -34.0825
 3      0.2325    0.2245       44.0403   44.0325        0.2229    0.2293
 4      0.2289    0.2293       -0.0000    0.0000        0.2168    0.2245
 5     -9.9432   -9.9500       -0.2168   -0.2245        2.4018    2.4003
 6     -0.2229   -0.2293       -2.4018   -2.4003        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -7.2009   -7.2009       -0.6734   -0.6734
 2      0.6878    0.6878        0.0000    0.0000       -0.6734   -0.6734
 3      0.6878    0.6878       -7.2009   -7.2009       -0.0000    0.0000
 4     -7.2009   -7.2009       -0.6878   -0.6878     -102.2475 -102.2475
 5      0.6734    0.6734      132.0976  132.0976        0.6878    0.6878
 6    -29.8500  -29.8500       -0.6734   -0.6734        7.2009    7.2009
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5008    0.0000       -9.3363   -9.6012        0.5803    0.8979
 2      9.3544    9.6012        1.4417    0.9171      136.3381  136.3301
 3     -0.5320   -0.8979     -176.0438 -176.1301       -0.5422   -0.9171
 4     -0.9230   -0.9171        0.0339    0.0000       -0.9753   -0.8979
 5     39.6933   39.8000        1.0318    0.8979       -9.2512   -9.6012
 6      0.6726    0.9171        9.5765    9.6012       -0.2598    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4839    0.0000       32.2000   31.9925        1.7419    1.4667
 2    -30.6609  -31.9925       -7.0593   -7.0037       21.8730   21.8890
 3     -2.3793   -1.4667       43.6587   43.5924        6.5104    7.0037
 4      7.5566    7.0037       -1.4081    0.0000       -0.7889   -1.4667
 5    -64.7964  -65.4814        1.7978    1.4667       30.7060   31.9925
 6     -7.6414   -7.0037      -31.3149  -31.9925       -0.7132    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     12.5327   13.9920      -18.5313  -18.5776       -4.1438   -3.3131
 2     25.5551   25.8197        5.5380    5.7720       -3.2061   -3.3131
 3     25.0418   25.8197      -18.6538  -18.5776       -8.8745   -8.4981
 4    -23.9652  -24.3496      -11.6863  -11.8277       57.7270   57.7969
 5     -5.2656   -5.1850       35.8599   36.4507       12.0845   11.8277
 6    -94.0888  -94.2476        4.4187    5.1850       23.7749   24.3496
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.6994   -1.0378   -0.0020   -0.0015   -0.0006    6.1767
 Low frequencies ---   23.2735   76.3588   89.1063
 Diagonal vibrational polarizability:
       38.1015767      24.1925073      30.5330862
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.2438                76.3374                89.1042
 Red. masses --      5.5315                 4.1758                 5.6688
 Frc consts  --      0.0018                 0.0143                 0.0265
 IR Inten    --      0.4954                 0.1583                 0.9502
 RamAct Fr= 1--      0.0586                 1.2587                 1.4969
  Dep-P Fr= 1--      0.7326                 0.4695                 0.7048
  Dep-U Fr= 1--      0.8456                 0.6390                 0.8269
 Alpha2 Fr= 1--      0.0000                 0.0071                 0.0012
 Beta2  Fr= 1--      0.0083                 0.1341                 0.2063
 AlphaG Fr= 1--     -0.0001                -0.0026                -0.0026
 Gamma2 Fr= 1--      0.0469                 0.7226                -0.2620
 Delta2 Fr= 1--      0.0068                 0.0188                 0.1679
 Raman1 Fr= 1--       0.234                  5.035                  5.988
 ROA1   Fr= 1--       4.721                 69.968                -19.780
 CID1   Fr= 1--      20.149                 13.897                 -3.303
 Raman2 Fr= 1--       0.099                  1.609                  2.476
 ROA2   Fr= 1--       1.072                 17.192                 -7.631
 CID2   Fr= 1--      10.818                 10.687                 -3.083
 Raman3 Fr= 1--       0.198                  3.217                  4.951
 ROA3   Fr= 1--       4.721                 69.968                -19.780
 CID3   Fr= 1--      23.827                 21.747                 -3.995
 RC180  Fr= 1--       0.691                  0.278                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.06  -0.02    -0.03   0.07   0.02     0.01  -0.13  -0.09
     2   6     0.01   0.01  -0.01    -0.01   0.00  -0.00     0.03  -0.05  -0.03
     3   6     0.05  -0.00  -0.06     0.04   0.00  -0.03     0.02  -0.03   0.01
     4   6     0.04   0.02  -0.14     0.07   0.06  -0.05     0.01  -0.06   0.03
     5   6    -0.05   0.04  -0.18     0.07   0.14  -0.03     0.05  -0.11   0.03
     6   6    -0.04   0.05  -0.13     0.00   0.14   0.02     0.02  -0.12  -0.05
     7   6     0.09  -0.05  -0.03     0.05  -0.04  -0.02     0.04   0.02   0.03
     8   6     0.08  -0.06   0.05     0.01  -0.07   0.00     0.06   0.03   0.01
     9   6     0.02  -0.02   0.05    -0.02  -0.04   0.01     0.05  -0.01  -0.02
    10   6    -0.02  -0.03   0.12    -0.03  -0.05   0.00     0.03  -0.01   0.00
    11   6    -0.02   0.02   0.11     0.03  -0.06  -0.02    -0.06  -0.00   0.03
    12   6     0.02   0.02   0.05     0.02  -0.06  -0.01    -0.05  -0.01   0.05
    13   6     0.01  -0.01  -0.01     0.01  -0.01   0.02    -0.05  -0.04   0.04
    14   6     0.05  -0.00  -0.05    -0.04  -0.01   0.05    -0.01  -0.04   0.03
    15   6     0.09   0.04  -0.02    -0.05  -0.07   0.05    -0.01  -0.01   0.03
    16   6     0.08   0.05   0.05    -0.02  -0.10   0.01    -0.04   0.01   0.04
    17   6    -0.04  -0.04  -0.03     0.03   0.08  -0.01    -0.09  -0.04   0.00
    18   6    -0.08  -0.05  -0.13    -0.09   0.19  -0.05    -0.19   0.01  -0.12
    19   6    -0.00  -0.03  -0.18    -0.08   0.20  -0.07    -0.08   0.00  -0.18
    20   6     0.05  -0.02  -0.11    -0.09   0.07   0.06    -0.01  -0.06   0.00
    21  40     0.01  -0.00   0.03     0.00  -0.06   0.01     0.00   0.01   0.04
    22  17    -0.07  -0.11   0.10     0.07  -0.00  -0.00     0.06   0.18  -0.13
    23  17    -0.06   0.11   0.08    -0.02  -0.05  -0.01     0.04   0.04   0.10
    24   1     0.10  -0.09   0.08     0.02  -0.10   0.02     0.08   0.06   0.03
    25   1     0.13  -0.07  -0.05     0.08  -0.06  -0.03     0.04   0.04   0.05
    26   1    -0.09   0.13  -0.01    -0.01   0.07   0.01     0.00  -0.23  -0.06
    27   1    -0.02   0.06   0.04    -0.09   0.07   0.04     0.01  -0.13  -0.19
    28   1    -0.09   0.07  -0.15    -0.00   0.19   0.04     0.02  -0.16  -0.07
    29   1     0.02   0.01  -0.14    -0.03   0.14   0.04     0.01  -0.06  -0.07
    30   1    -0.11   0.08  -0.15     0.09   0.14  -0.04     0.09  -0.16   0.03
    31   1    -0.05   0.03  -0.26     0.08   0.18  -0.03     0.06  -0.09   0.09
    32   1     0.09   0.02  -0.18     0.06   0.06  -0.04    -0.00  -0.07   0.04
    33   1     0.05   0.01  -0.13     0.12   0.06  -0.09    -0.02  -0.06   0.05
    34   1    -0.04  -0.01   0.15    -0.04  -0.04   0.03     0.02  -0.00  -0.03
    35   1    -0.03  -0.09   0.12    -0.06  -0.06  -0.03     0.06  -0.03   0.05
    36   1    -0.02   0.08   0.12     0.06  -0.09   0.01    -0.10   0.01  -0.01
    37   1    -0.04   0.01   0.15     0.04  -0.06  -0.06    -0.08  -0.01   0.09
    38   1     0.10   0.08   0.08    -0.02  -0.14  -0.00    -0.04   0.03   0.05
    39   1     0.13   0.06  -0.04    -0.09  -0.09   0.07     0.01  -0.01   0.03
    40   1    -0.00  -0.02  -0.02     0.14   0.13  -0.03    -0.01   0.01   0.00
    41   1    -0.08  -0.09   0.01     0.03   0.02   0.01    -0.14  -0.11   0.06
    42   1    -0.12  -0.05  -0.18    -0.08   0.27  -0.12    -0.24   0.05  -0.22
    43   1    -0.14  -0.06  -0.10    -0.20   0.17  -0.01    -0.30  -0.00  -0.06
    44   1    -0.02  -0.03  -0.24    -0.17   0.30  -0.11    -0.15   0.05  -0.26
    45   1     0.05  -0.02  -0.20     0.05   0.21  -0.14     0.04  -0.01  -0.26
    46   1     0.03  -0.01  -0.09    -0.17   0.12   0.16    -0.04   0.02   0.12
    47   1     0.11  -0.04  -0.13    -0.06   0.00   0.08     0.09  -0.17   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --     97.3379               119.7026               121.2910
 Red. masses --      6.0833                 4.4473                 4.8150
 Frc consts  --      0.0340                 0.0375                 0.0417
 IR Inten    --      1.0036                 0.6046                 0.3251
 RamAct Fr= 1--      1.5105                 0.8722                 2.1265
  Dep-P Fr= 1--      0.6704                 0.3426                 0.6911
  Dep-U Fr= 1--      0.8026                 0.5103                 0.8173
 Alpha2 Fr= 1--      0.0021                 0.0078                 0.0022
 Beta2  Fr= 1--      0.2021                 0.0742                 0.2897
 AlphaG Fr= 1--      0.0012                -0.0042                 0.0019
 Gamma2 Fr= 1--     -0.2844                -0.1293                -0.6930
 Delta2 Fr= 1--     -0.0636                -0.0696                 0.0933
 Raman1 Fr= 1--       6.042                  3.489                  8.506
 ROA1   Fr= 1--     -29.339                -14.638                -63.542
 CID1   Fr= 1--      -4.856                 -4.196                 -7.470
 Raman2 Fr= 1--       2.425                  0.890                  3.476
 ROA2   Fr= 1--      -6.317                 -2.547                -17.378
 CID2   Fr= 1--      -2.605                 -2.861                 -4.999
 Raman3 Fr= 1--       4.850                  1.780                  6.952
 ROA3   Fr= 1--     -29.339                -14.638                -63.542
 CID3   Fr= 1--      -6.050                 -8.222                 -9.140
 RC180  Fr= 1--       0.605                  0.021                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.05    -0.07  -0.00  -0.00     0.07   0.12   0.14
     2   6     0.03  -0.04  -0.03    -0.03  -0.03   0.01    -0.00   0.03   0.04
     3   6     0.02  -0.05  -0.05    -0.00  -0.03  -0.01    -0.03   0.00   0.00
     4   6     0.04  -0.03  -0.02    -0.00  -0.01  -0.06    -0.09  -0.05  -0.07
     5   6     0.17   0.10   0.10    -0.03   0.02  -0.06    -0.09   0.01  -0.04
     6   6     0.12   0.11   0.22    -0.06   0.02  -0.05     0.03   0.01   0.13
     7   6     0.01  -0.06  -0.06     0.02  -0.05   0.01    -0.03   0.00   0.00
     8   6     0.02  -0.06  -0.05     0.01  -0.06   0.04    -0.03   0.01   0.01
     9   6     0.02  -0.05  -0.03    -0.02  -0.05   0.04    -0.01   0.02   0.03
    10   6     0.02  -0.05  -0.02    -0.01  -0.05   0.02    -0.02   0.01  -0.01
    11   6    -0.01  -0.03  -0.01     0.08  -0.03  -0.01     0.03  -0.01  -0.03
    12   6    -0.03  -0.02  -0.01     0.07  -0.02  -0.05     0.02  -0.01  -0.03
    13   6    -0.03  -0.03   0.00     0.02   0.03  -0.09     0.01   0.00  -0.02
    14   6    -0.04  -0.02  -0.01     0.03   0.01  -0.05     0.03  -0.03   0.02
    15   6    -0.06  -0.01  -0.03     0.06  -0.04  -0.00     0.02  -0.03   0.01
    16   6    -0.05  -0.01  -0.03     0.09  -0.06  -0.00     0.01  -0.02  -0.01
    17   6     0.00  -0.06   0.05    -0.03   0.10  -0.17    -0.04   0.07  -0.11
    18   6     0.01  -0.07   0.06     0.12   0.03   0.01    -0.03   0.09  -0.07
    19   6    -0.01  -0.06   0.07     0.07  -0.09   0.12     0.02  -0.03  -0.02
    20   6    -0.02  -0.03   0.02     0.04  -0.01  -0.02     0.06  -0.06   0.08
    21  40    -0.00  -0.01  -0.06    -0.04  -0.01   0.05     0.01   0.00  -0.00
    22  17    -0.02  -0.02  -0.07     0.06   0.13  -0.06    -0.14  -0.03  -0.11
    23  17    -0.10   0.22   0.11    -0.09   0.02   0.05     0.15  -0.04   0.10
    24   1     0.01  -0.08  -0.05     0.02  -0.07   0.07    -0.04  -0.01  -0.01
    25   1     0.01  -0.08  -0.08     0.04  -0.06   0.00    -0.05  -0.01  -0.02
    26   1     0.22  -0.01   0.01    -0.09  -0.00   0.01     0.10   0.29   0.09
    27   1     0.02   0.02   0.06    -0.09  -0.01   0.01     0.14   0.11   0.30
    28   1     0.23   0.20   0.32    -0.09   0.04  -0.06     0.08   0.07   0.18
    29   1    -0.04   0.07   0.32    -0.04   0.02  -0.06     0.03  -0.13   0.19
    30   1     0.29   0.14   0.00    -0.03   0.02  -0.06    -0.16   0.15  -0.07
    31   1     0.19   0.13   0.18    -0.02   0.04  -0.08    -0.13  -0.08  -0.13
    32   1    -0.05  -0.14   0.06     0.02  -0.03  -0.07    -0.06  -0.16  -0.08
    33   1     0.03  -0.02  -0.17     0.01  -0.01  -0.08    -0.16  -0.03  -0.15
    34   1     0.02  -0.05  -0.02    -0.02  -0.04   0.08    -0.04   0.02   0.00
    35   1     0.03  -0.05   0.00    -0.05  -0.06  -0.02    -0.05   0.01  -0.04
    36   1    -0.02  -0.05  -0.02     0.13  -0.06   0.04     0.06  -0.04  -0.00
    37   1     0.00  -0.02   0.01     0.12  -0.02  -0.06     0.05  -0.00  -0.07
    38   1    -0.07   0.00  -0.04     0.12  -0.11   0.04     0.02  -0.04  -0.01
    39   1    -0.07   0.00  -0.04     0.08  -0.07   0.03     0.02  -0.05   0.04
    40   1    -0.01  -0.05   0.08    -0.16  -0.04  -0.32    -0.04   0.02  -0.21
    41   1     0.03  -0.08   0.04    -0.05   0.33  -0.25    -0.09   0.16  -0.11
    42   1     0.02  -0.07   0.07     0.13  -0.01   0.05    -0.06   0.12  -0.13
    43   1     0.02  -0.06   0.05     0.26   0.12   0.02    -0.04   0.15   0.01
    44   1     0.01  -0.08   0.09     0.18  -0.17   0.25     0.03  -0.02   0.01
    45   1    -0.05  -0.06   0.10    -0.12  -0.16   0.16     0.02  -0.10  -0.10
    46   1     0.00  -0.05  -0.01     0.10  -0.06  -0.11     0.09   0.02   0.18
    47   1    -0.05  -0.01   0.02    -0.02   0.06  -0.02     0.09  -0.18   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    124.6770               138.1219               142.4039
 Red. masses --      4.4030                 4.1200                 4.5371
 Frc consts  --      0.0403                 0.0463                 0.0542
 IR Inten    --      0.1981                 0.6535                 0.1824
 RamAct Fr= 1--      3.7678                 2.8980                 1.9609
  Dep-P Fr= 1--      0.3916                 0.6431                 0.7103
  Dep-U Fr= 1--      0.5628                 0.7828                 0.8306
 Alpha2 Fr= 1--      0.0288                 0.0056                 0.0013
 Beta2  Fr= 1--      0.3534                 0.3781                 0.2715
 AlphaG Fr= 1--      0.0213                 0.0011                -0.0008
 Gamma2 Fr= 1--      1.2452                 1.1736                -1.1666
 Delta2 Fr= 1--     -0.1446                -0.0800                 0.2849
 Raman1 Fr= 1--      15.071                 11.592                  7.844
 ROA1   Fr= 1--     114.910                110.103               -102.881
 CID1   Fr= 1--       7.625                  9.498                -13.116
 Raman2 Fr= 1--       4.241                  4.537                  3.258
 ROA2   Fr= 1--      31.041                 28.806                -30.279
 CID2   Fr= 1--       7.319                  6.349                 -9.295
 Raman3 Fr= 1--       8.482                  9.074                  6.515
 ROA3   Fr= 1--     114.910                110.103               -102.881
 CID3   Fr= 1--      13.547                 12.134                -15.791
 RC180  Fr= 1--       0.126                  0.566                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.05     0.10   0.08   0.12     0.15   0.12   0.08
     2   6    -0.07   0.02   0.06     0.06   0.03   0.07     0.08   0.06   0.00
     3   6    -0.06   0.03   0.06     0.03   0.01   0.04     0.03   0.04  -0.02
     4   6    -0.06   0.04   0.05     0.01  -0.01   0.01    -0.01  -0.02  -0.08
     5   6    -0.16  -0.03  -0.03    -0.11  -0.09  -0.08    -0.03  -0.01  -0.09
     6   6    -0.11  -0.03  -0.07     0.04  -0.10  -0.05     0.10  -0.01   0.03
     7   6    -0.07   0.01   0.05    -0.01  -0.03  -0.00     0.03   0.05  -0.02
     8   6    -0.09   0.00   0.03    -0.02  -0.04  -0.00     0.05   0.07  -0.02
     9   6    -0.08   0.01   0.05     0.01  -0.01   0.03     0.07   0.06  -0.02
    10   6    -0.07   0.00   0.01    -0.03  -0.03   0.02     0.06   0.04  -0.09
    11   6     0.03  -0.03  -0.03    -0.03  -0.03   0.02     0.04  -0.06  -0.08
    12   6     0.06  -0.04  -0.02    -0.05  -0.02   0.01     0.02  -0.07  -0.00
    13   6     0.09  -0.06   0.03    -0.07  -0.00   0.00     0.01  -0.06   0.01
    14   6     0.04  -0.03   0.00    -0.06  -0.02   0.03    -0.01  -0.04  -0.01
    15   6     0.01  -0.02  -0.03    -0.05  -0.04   0.04    -0.01  -0.07   0.00
    16   6     0.02  -0.03  -0.05    -0.05  -0.03   0.02     0.01  -0.08   0.01
    17   6     0.18  -0.09   0.12    -0.11   0.05  -0.06     0.06  -0.11   0.09
    18   6     0.06  -0.02   0.02    -0.08   0.04   0.01     0.02  -0.11   0.01
    19   6     0.05   0.09  -0.04    -0.07  -0.06   0.07    -0.02   0.01  -0.05
    20   6     0.02   0.01   0.00    -0.04  -0.03   0.07    -0.05  -0.00  -0.07
    21  40     0.04  -0.03  -0.02     0.06   0.02  -0.04    -0.03   0.01   0.07
    22  17     0.04   0.01  -0.10     0.10  -0.00   0.03    -0.04   0.08  -0.01
    23  17    -0.02   0.10   0.06    -0.04   0.08  -0.08    -0.10  -0.05  -0.05
    24   1    -0.11  -0.03   0.01    -0.05  -0.06  -0.04     0.06   0.10  -0.01
    25   1    -0.08   0.01   0.04    -0.03  -0.05  -0.04     0.01   0.06  -0.01
    26   1    -0.16   0.11   0.06     0.02   0.30   0.11     0.14   0.28   0.05
    27   1    -0.03   0.03   0.10     0.24   0.07   0.29     0.23   0.10   0.22
    28   1    -0.18  -0.07  -0.13    -0.03  -0.14  -0.11     0.12   0.02   0.05
    29   1    -0.01  -0.03  -0.12     0.19  -0.18  -0.10     0.14  -0.12   0.06
    30   1    -0.24  -0.04   0.03    -0.26  -0.03  -0.01    -0.12   0.10  -0.08
    31   1    -0.17  -0.05  -0.10    -0.15  -0.20  -0.21    -0.08  -0.11  -0.17
    32   1    -0.00   0.12  -0.00     0.09   0.05  -0.06     0.02  -0.09  -0.10
    33   1    -0.03   0.02   0.14     0.00  -0.02   0.11    -0.08   0.00  -0.11
    34   1    -0.08   0.00   0.04    -0.06  -0.00   0.02     0.06   0.05  -0.15
    35   1    -0.11   0.01  -0.05    -0.04  -0.06   0.02     0.07   0.09  -0.09
    36   1     0.08  -0.05   0.02    -0.03  -0.04   0.03     0.04  -0.12  -0.10
    37   1     0.04  -0.04  -0.10    -0.02  -0.02   0.02     0.06  -0.05  -0.13
    38   1    -0.01  -0.03  -0.07    -0.06  -0.04   0.01     0.02  -0.10   0.02
    39   1    -0.02  -0.01  -0.05    -0.05  -0.05   0.06    -0.01  -0.07   0.02
    40   1     0.28   0.03   0.26    -0.14  -0.02  -0.16     0.10  -0.04   0.20
    41   1     0.23  -0.29   0.16    -0.14   0.15  -0.09     0.10  -0.24   0.11
    42   1     0.09   0.02   0.02    -0.09   0.06  -0.02     0.04  -0.11   0.05
    43   1    -0.03  -0.10   0.00    -0.05   0.11   0.06    -0.02  -0.18  -0.05
    44   1    -0.03   0.17  -0.11    -0.01  -0.09   0.13    -0.06   0.05  -0.10
    45   1     0.17   0.16  -0.04    -0.14  -0.12   0.05     0.05   0.09  -0.01
    46   1    -0.04   0.02   0.04    -0.01  -0.01   0.08    -0.10  -0.05  -0.12
    47   1     0.02   0.01   0.01    -0.05  -0.06   0.08    -0.05   0.07  -0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    163.8621               182.1986               188.5696
 Red. masses --      7.5629                 3.4434                 5.4978
 Frc consts  --      0.1196                 0.0673                 0.1152
 IR Inten    --      2.1674                 0.8370                 1.6961
 RamAct Fr= 1--      1.2375                 6.5118                 3.5428
  Dep-P Fr= 1--      0.2802                 0.2190                 0.4910
  Dep-U Fr= 1--      0.4378                 0.3593                 0.6586
 Alpha2 Fr= 1--      0.0135                 0.0840                 0.0182
 Beta2  Fr= 1--      0.0903                 0.3900                 0.3889
 AlphaG Fr= 1--     -0.0018                -0.1319                 0.1210
 Gamma2 Fr= 1--      0.5942                 2.1624                -0.0449
 Delta2 Fr= 1--      0.2265                 0.3656                 0.0064
 Raman1 Fr= 1--       4.950                 26.047                 14.171
 ROA1   Fr= 1--      64.291                219.289                 -4.103
 CID1   Fr= 1--      12.988                  8.419                 -0.290
 Raman2 Fr= 1--       1.083                  4.680                  4.666
 ROA2   Fr= 1--      12.449                 48.972                 -1.128
 CID2   Fr= 1--      11.490                 10.465                 -0.242
 Raman3 Fr= 1--       2.167                  9.359                  9.333
 ROA3   Fr= 1--      64.291                219.289                 -4.103
 CID3   Fr= 1--      29.669                 23.431                 -0.440
 RC180  Fr= 1--      -0.124                 -0.281                  0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.05     0.06   0.04   0.06    -0.08  -0.08  -0.01
     2   6    -0.04  -0.03  -0.04     0.05   0.01   0.04    -0.02  -0.04   0.05
     3   6    -0.06  -0.07  -0.08     0.06   0.02   0.05     0.03  -0.04   0.03
     4   6    -0.13  -0.14  -0.17     0.14   0.10   0.13    -0.00  -0.06  -0.04
     5   6    -0.07  -0.04  -0.10     0.02  -0.02   0.02     0.03   0.01   0.00
     6   6     0.01  -0.03   0.09     0.05  -0.03  -0.09    -0.05   0.02   0.03
     7   6    -0.06  -0.07  -0.08     0.02  -0.03  -0.01     0.08  -0.05   0.07
     8   6    -0.04  -0.05  -0.05    -0.01  -0.06  -0.02     0.08  -0.06   0.13
     9   6    -0.03  -0.03  -0.03     0.00  -0.04  -0.00    -0.01  -0.06   0.10
    10   6    -0.00  -0.01  -0.01    -0.01  -0.04   0.01    -0.09  -0.11   0.04
    11   6     0.00   0.02  -0.02     0.03  -0.03  -0.01     0.12  -0.14  -0.04
    12   6    -0.02   0.04  -0.04    -0.01  -0.00  -0.02     0.01  -0.08  -0.07
    13   6    -0.01   0.02  -0.03    -0.04   0.02  -0.04    -0.01  -0.04  -0.05
    14   6    -0.01   0.02  -0.03    -0.06   0.05  -0.07    -0.06  -0.03  -0.03
    15   6    -0.02   0.05  -0.06    -0.05   0.03  -0.06    -0.08  -0.07  -0.04
    16   6    -0.04   0.06  -0.06    -0.02   0.00  -0.03    -0.06  -0.09  -0.09
    17   6     0.05  -0.03   0.06    -0.03  -0.01  -0.02     0.03  -0.05  -0.00
    18   6     0.02  -0.03   0.00     0.03  -0.06   0.01     0.01  -0.04  -0.01
    19   6     0.01   0.06  -0.04    -0.05   0.03  -0.00    -0.04   0.01  -0.01
    20   6    -0.01   0.02  -0.02    -0.10   0.08  -0.12    -0.07  -0.01  -0.01
    21  40    -0.07   0.02  -0.03    -0.03  -0.01  -0.01     0.03   0.11   0.00
    22  17     0.21   0.07   0.20    -0.03   0.01  -0.01    -0.08   0.04   0.06
    23  17     0.12  -0.03   0.13     0.08  -0.02   0.10     0.09   0.05  -0.08
    24   1    -0.04  -0.06  -0.05    -0.04  -0.08  -0.05     0.09  -0.08   0.16
    25   1    -0.09  -0.10  -0.12     0.03  -0.04  -0.02     0.10  -0.07   0.05
    26   1     0.09   0.13   0.00    -0.01   0.17   0.06    -0.08  -0.20   0.01
    27   1     0.07   0.02   0.15     0.13   0.04   0.15    -0.15  -0.07  -0.12
    28   1     0.09   0.05   0.17    -0.06  -0.10  -0.19    -0.04   0.06   0.05
    29   1    -0.05  -0.16   0.18     0.19   0.01  -0.19    -0.11   0.04   0.05
    30   1    -0.07   0.09  -0.16    -0.07  -0.08   0.11     0.09   0.00  -0.03
    31   1    -0.10  -0.10  -0.12     0.02  -0.04  -0.04     0.06   0.07   0.04
    32   1    -0.13  -0.30  -0.15     0.17   0.33   0.08    -0.01  -0.17  -0.02
    33   1    -0.23  -0.10  -0.30     0.25   0.06   0.32    -0.05  -0.04  -0.13
    34   1     0.01  -0.03   0.00    -0.03  -0.03   0.04    -0.20  -0.03   0.15
    35   1     0.00  -0.01  -0.01    -0.04  -0.07  -0.02    -0.21  -0.21  -0.08
    36   1     0.01   0.02  -0.01     0.07  -0.07   0.02     0.25  -0.28   0.07
    37   1     0.02   0.04  -0.00     0.08   0.01  -0.04     0.25  -0.05  -0.20
    38   1    -0.04   0.07  -0.07    -0.01  -0.01  -0.02    -0.07  -0.13  -0.11
    39   1    -0.03   0.06  -0.08    -0.07   0.04  -0.07    -0.11  -0.09  -0.02
    40   1     0.08   0.03   0.17    -0.09  -0.03  -0.00     0.05  -0.02   0.05
    41   1     0.10  -0.15   0.08    -0.02   0.02  -0.04     0.05  -0.11   0.00
    42   1     0.04  -0.03   0.03     0.08  -0.12   0.12     0.04  -0.02   0.03
    43   1    -0.00  -0.08  -0.04     0.11  -0.10  -0.09     0.00  -0.07  -0.04
    44   1    -0.04   0.09  -0.09    -0.04   0.02  -0.00    -0.06   0.03  -0.01
    45   1     0.08   0.10  -0.03    -0.08   0.09   0.08    -0.02   0.03   0.00
    46   1    -0.02   0.04   0.01    -0.12  -0.00  -0.22    -0.06  -0.01  -0.00
    47   1    -0.01   0.00  -0.01    -0.14   0.19  -0.15    -0.08  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    197.3630               236.3403               261.6173
 Red. masses --      3.4164                 2.9980                 2.2388
 Frc consts  --      0.0784                 0.0987                 0.0903
 IR Inten    --      1.0224                 0.0490                 0.1704
 RamAct Fr= 1--      2.0185                 0.7569                 1.3727
  Dep-P Fr= 1--      0.3821                 0.4431                 0.2340
  Dep-U Fr= 1--      0.5529                 0.6141                 0.3793
 Alpha2 Fr= 1--      0.0159                 0.0048                 0.0170
 Beta2  Fr= 1--      0.1860                 0.0775                 0.0868
 AlphaG Fr= 1--      0.0318                 0.0116                 0.0254
 Gamma2 Fr= 1--     -1.5912                 0.9876                 0.1405
 Delta2 Fr= 1--      0.0075                -0.0054                -0.0014
 Raman1 Fr= 1--       8.074                  3.028                  5.491
 ROA1   Fr= 1--    -152.521                 94.639                 13.440
 CID1   Fr= 1--     -18.890                 31.260                  2.448
 Raman2 Fr= 1--       2.232                  0.930                  1.041
 ROA2   Fr= 1--     -38.250                 23.746                  3.383
 CID2   Fr= 1--     -17.135                 25.545                  3.248
 Raman3 Fr= 1--       4.464                  1.859                  2.083
 ROA3   Fr= 1--    -152.521                 94.639                 13.440
 CID3   Fr= 1--     -34.163                 50.904                  6.453
 RC180  Fr= 1--       0.106                  0.228                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.06   0.01   0.01    -0.06   0.00   0.05
     2   6    -0.03   0.01  -0.02    -0.01  -0.02   0.02     0.00  -0.07   0.04
     3   6    -0.04   0.01  -0.01    -0.03  -0.03   0.01     0.00  -0.06   0.04
     4   6    -0.10  -0.06  -0.06    -0.00   0.02   0.00     0.04  -0.00   0.02
     5   6    -0.04   0.01  -0.01    -0.03   0.05  -0.01    -0.04   0.04  -0.01
     6   6    -0.03   0.01   0.06    -0.05   0.05  -0.02    -0.05   0.05   0.00
     7   6     0.00   0.06   0.04    -0.05  -0.01   0.00    -0.02  -0.04   0.03
     8   6     0.02   0.08   0.03    -0.03   0.01   0.01    -0.01  -0.02   0.02
     9   6     0.01   0.05   0.01     0.02   0.01   0.03     0.02  -0.04   0.01
    10   6     0.00   0.04  -0.00     0.17   0.05  -0.06     0.20   0.02  -0.06
    11   6    -0.03  -0.00   0.02     0.24  -0.04  -0.07    -0.10   0.00   0.03
    12   6     0.00  -0.03   0.04     0.03   0.02   0.05    -0.02  -0.04   0.00
    13   6    -0.05   0.01  -0.02    -0.01   0.05   0.06    -0.01  -0.05  -0.03
    14   6    -0.07   0.04  -0.04    -0.02   0.06   0.03    -0.01  -0.05  -0.02
    15   6    -0.01  -0.02   0.03    -0.05   0.06   0.01     0.00  -0.03  -0.02
    16   6     0.03  -0.05   0.07    -0.03   0.03   0.02    -0.01  -0.02  -0.01
    17   6    -0.08   0.01  -0.04    -0.08  -0.01   0.04     0.03  -0.00  -0.03
    18   6     0.03  -0.06   0.03    -0.10  -0.05  -0.02     0.03   0.02  -0.00
    19   6    -0.08   0.05   0.02    -0.05  -0.09  -0.02     0.01   0.02  -0.00
    20   6    -0.15   0.11  -0.16     0.02  -0.01   0.00    -0.02  -0.02  -0.01
    21  40     0.06  -0.03   0.02     0.00  -0.01  -0.01    -0.00   0.02  -0.00
    22  17     0.04  -0.04  -0.04     0.02  -0.02  -0.00    -0.02   0.02   0.01
    23  17     0.05   0.02   0.02     0.00   0.00   0.01     0.02   0.02  -0.01
    24   1     0.04   0.10   0.05    -0.03   0.02   0.00    -0.01  -0.01   0.02
    25   1     0.01   0.08   0.06    -0.07  -0.01   0.00    -0.05  -0.04   0.03
    26   1     0.01  -0.08  -0.03    -0.07  -0.01   0.02    -0.07   0.03   0.05
    27   1    -0.07  -0.01  -0.08    -0.10   0.01   0.00    -0.11   0.00   0.10
    28   1     0.04   0.05   0.13    -0.07   0.05  -0.03    -0.07   0.06  -0.01
    29   1    -0.12  -0.02   0.12    -0.04   0.07  -0.03    -0.03   0.04  -0.00
    30   1    -0.00   0.05  -0.06    -0.04   0.05  -0.00    -0.09   0.06   0.01
    31   1    -0.04   0.00   0.01    -0.03   0.06  -0.03    -0.04   0.05  -0.09
    32   1    -0.10  -0.19  -0.05     0.00   0.05  -0.01     0.07   0.04  -0.01
    33   1    -0.18  -0.03  -0.17     0.05   0.01  -0.00     0.11  -0.02   0.02
    34   1     0.01   0.04  -0.04     0.27  -0.03  -0.11     0.40  -0.12  -0.32
    35   1     0.02   0.06   0.02     0.16   0.21  -0.11     0.38   0.29   0.09
    36   1    -0.06   0.01  -0.01     0.31  -0.32  -0.05    -0.28   0.19  -0.13
    37   1    -0.07  -0.03   0.02     0.42   0.09  -0.24    -0.25  -0.08   0.24
    38   1     0.06  -0.07   0.10    -0.03   0.03   0.01    -0.01  -0.01  -0.01
    39   1    -0.01  -0.02   0.03    -0.09   0.07  -0.02     0.03  -0.03  -0.02
    40   1    -0.17  -0.06  -0.09    -0.08  -0.01   0.05     0.03  -0.01  -0.05
    41   1    -0.08   0.12  -0.08    -0.13  -0.03   0.09     0.06   0.02  -0.06
    42   1     0.08  -0.14   0.18    -0.13  -0.05  -0.06     0.04   0.02   0.00
    43   1     0.15  -0.11  -0.10    -0.12  -0.03   0.01     0.03   0.01  -0.01
    44   1    -0.05   0.01   0.03     0.00  -0.16  -0.00    -0.02   0.06  -0.00
    45   1    -0.15   0.12   0.14    -0.12  -0.13  -0.02     0.03   0.04  -0.01
    46   1    -0.21  -0.03  -0.33     0.07   0.01   0.00    -0.04  -0.02  -0.00
    47   1    -0.20   0.32  -0.22     0.07  -0.04  -0.01    -0.05  -0.02   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    279.7853               284.9209               310.8992
 Red. masses --      3.3832                 3.1012                 2.2783
 Frc consts  --      0.1560                 0.1483                 0.1298
 IR Inten    --      2.2973                 2.7294                11.1994
 RamAct Fr= 1--     15.7587                 1.3131                 3.6432
  Dep-P Fr= 1--      0.2011                 0.7323                 0.2331
  Dep-U Fr= 1--      0.3349                 0.8454                 0.3781
 Alpha2 Fr= 1--      0.2134                 0.0004                 0.0452
 Beta2  Fr= 1--      0.8795                 0.1850                 0.2296
 AlphaG Fr= 1--     -0.2962                -0.0040                 0.0344
 Gamma2 Fr= 1--     -0.7620                 0.3211                 0.5290
 Delta2 Fr= 1--      0.0843                -0.0569                 0.3260
 Raman1 Fr= 1--      63.035                  5.252                 14.573
 ROA1   Fr= 1--     -70.451                 29.008                 61.218
 CID1   Fr= 1--      -1.118                  5.523                  4.201
 Raman2 Fr= 1--      10.554                  2.220                  2.755
 ROA2   Fr= 1--     -18.962                  8.162                 10.089
 CID2   Fr= 1--      -1.797                  3.676                  3.662
 Raman3 Fr= 1--      21.107                  4.441                  5.510
 ROA3   Fr= 1--     -70.451                 29.008                 61.218
 CID3   Fr= 1--      -3.338                  6.532                 11.110
 RC180  Fr= 1--      -0.330                  0.691                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.01  -0.02   0.00     0.01  -0.01  -0.02
     2   6     0.01   0.01   0.01    -0.04  -0.08  -0.05    -0.02  -0.01  -0.04
     3   6    -0.04  -0.03  -0.04     0.06  -0.00   0.06    -0.02  -0.00  -0.03
     4   6    -0.02   0.00  -0.01     0.08   0.01   0.03     0.02   0.03   0.03
     5   6     0.06   0.01   0.03    -0.10  -0.00  -0.06    -0.03  -0.01  -0.01
     6   6     0.00   0.00  -0.07    -0.02   0.00   0.11     0.00  -0.01   0.04
     7   6    -0.11  -0.09  -0.11     0.13   0.06   0.12     0.00  -0.00  -0.02
     8   6    -0.09  -0.07  -0.08     0.06  -0.00   0.04     0.01   0.00  -0.01
     9   6    -0.02  -0.01  -0.00    -0.04  -0.08  -0.07    -0.00  -0.00  -0.01
    10   6     0.01   0.00  -0.01    -0.02  -0.06  -0.06     0.00   0.00   0.02
    11   6     0.03   0.01  -0.02     0.01   0.04  -0.07     0.01  -0.01   0.03
    12   6    -0.02   0.02   0.01    -0.06   0.08  -0.05     0.03  -0.02   0.02
    13   6    -0.04   0.05   0.00    -0.04   0.08  -0.01    -0.02   0.01  -0.04
    14   6     0.04  -0.03   0.10     0.03   0.01   0.07    -0.01   0.01  -0.04
    15   6     0.11  -0.12   0.19     0.06  -0.02   0.10     0.08  -0.06   0.06
    16   6     0.07  -0.08   0.13    -0.00   0.03   0.03     0.10  -0.07   0.09
    17   6    -0.06   0.01   0.02    -0.05   0.02   0.03     0.07  -0.03   0.06
    18   6     0.05  -0.09   0.02     0.03  -0.07   0.01    -0.09   0.09  -0.00
    19   6     0.01   0.07  -0.05     0.02   0.04  -0.05    -0.03  -0.08   0.07
    20   6     0.00   0.01   0.02     0.03   0.01   0.02    -0.02   0.02  -0.06
    21  40    -0.01   0.04  -0.01    -0.03  -0.01  -0.02    -0.03   0.01  -0.02
    22  17    -0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    23  17     0.02   0.02  -0.01    -0.00   0.01  -0.02     0.05   0.02  -0.02
    24   1    -0.13  -0.11  -0.12     0.09   0.03   0.07     0.02   0.01   0.01
    25   1    -0.16  -0.14  -0.18     0.20   0.12   0.20     0.02   0.00  -0.02
    26   1    -0.05   0.03   0.02     0.08  -0.01  -0.04     0.05  -0.02  -0.04
    27   1     0.02   0.01   0.01    -0.06  -0.02   0.05    -0.00  -0.01  -0.03
    28   1    -0.07  -0.05  -0.14     0.10   0.11   0.23     0.06   0.02   0.09
    29   1     0.07   0.07  -0.14    -0.14  -0.12   0.24    -0.05  -0.05   0.09
    30   1     0.15  -0.07   0.01    -0.30   0.13   0.00    -0.10   0.02   0.02
    31   1     0.08   0.07   0.13    -0.15  -0.10  -0.28    -0.05  -0.05  -0.07
    32   1    -0.07   0.00   0.03     0.16   0.12  -0.05     0.03   0.16   0.01
    33   1     0.01  -0.00  -0.03     0.12  -0.01   0.14     0.08   0.01   0.13
    34   1     0.02  -0.01   0.00    -0.02  -0.08   0.02     0.00   0.00   0.03
    35   1    -0.00   0.01  -0.02    -0.05  -0.09  -0.08     0.00  -0.01   0.03
    36   1     0.05  -0.05  -0.01     0.02  -0.00  -0.06     0.01   0.01   0.03
    37   1     0.07   0.03  -0.05     0.07   0.10  -0.04    -0.01  -0.03   0.01
    38   1     0.12  -0.13   0.18     0.00   0.02   0.04     0.16  -0.12   0.16
    39   1     0.18  -0.19   0.29     0.08  -0.06   0.15     0.13  -0.09   0.10
    40   1    -0.16  -0.04   0.02    -0.13  -0.00   0.06     0.22   0.13   0.22
    41   1    -0.06   0.07  -0.01    -0.05   0.04   0.02     0.15  -0.27   0.10
    42   1     0.08  -0.21   0.17     0.04  -0.16   0.12    -0.13   0.22  -0.19
    43   1     0.15  -0.17  -0.13     0.10  -0.12  -0.09    -0.24   0.16   0.18
    44   1    -0.10   0.14  -0.18    -0.05   0.08  -0.14     0.11  -0.20   0.20
    45   1     0.17   0.17  -0.05     0.13   0.10  -0.05    -0.25  -0.19   0.09
    46   1    -0.08  -0.00   0.04    -0.01   0.02   0.05     0.01  -0.06  -0.18
    47   1     0.06   0.03  -0.02     0.08   0.00   0.00    -0.07   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    318.6022               326.1832               339.8588
 Red. masses --      2.7877                 3.3146                23.0567
 Frc consts  --      0.1667                 0.2078                 1.5691
 IR Inten    --     21.9093                 9.6275                46.0890
 RamAct Fr= 1--      4.6517                 3.4122                 8.7951
  Dep-P Fr= 1--      0.1103                 0.6964                 0.0104
  Dep-U Fr= 1--      0.1987                 0.8210                 0.0206
 Alpha2 Fr= 1--      0.0794                 0.0032                 0.1907
 Beta2  Fr= 1--      0.1540                 0.4669                 0.0303
 AlphaG Fr= 1--      0.0294                 0.0034                -0.1650
 Gamma2 Fr= 1--      0.9700                -0.6892                 0.4790
 Delta2 Fr= 1--      0.1171                 0.4087                 0.0917
 Raman1 Fr= 1--      18.607                 13.649                 35.180
 ROA1   Fr= 1--      96.867                -53.083                 48.916
 CID1   Fr= 1--       5.206                 -3.889                  1.390
 Raman2 Fr= 1--       1.848                  5.603                  0.363
 ROA2   Fr= 1--      22.343                -19.811                 10.762
 CID2   Fr= 1--      12.089                 -3.536                 29.631
 Raman3 Fr= 1--       3.696                 11.206                  0.726
 ROA3   Fr= 1--      96.867                -53.083                 48.916
 CID3   Fr= 1--      26.207                 -4.737                 67.339
 RC180  Fr= 1--      -0.603                  0.642                 -0.959
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.07    -0.02   0.01   0.06    -0.02  -0.04  -0.01
     2   6    -0.00   0.00  -0.04     0.02  -0.04   0.05     0.02  -0.00   0.04
     3   6    -0.02  -0.02  -0.05     0.05  -0.01   0.08     0.00  -0.03  -0.01
     4   6     0.05   0.06   0.03     0.00  -0.07  -0.04     0.05   0.02   0.02
     5   6    -0.09  -0.01  -0.06     0.05   0.02   0.00    -0.03  -0.00  -0.02
     6   6     0.01  -0.00   0.11    -0.01   0.02  -0.05    -0.01   0.00   0.04
     7   6    -0.07  -0.07  -0.11     0.01  -0.02   0.05     0.01  -0.04  -0.00
     8   6    -0.06  -0.05  -0.10    -0.07  -0.07  -0.05     0.09   0.02   0.10
     9   6     0.00  -0.00  -0.03    -0.08  -0.08  -0.08     0.07   0.04   0.10
    10   6    -0.02  -0.01  -0.01    -0.05  -0.06  -0.12     0.04   0.02   0.04
    11   6    -0.00  -0.00  -0.01    -0.06   0.07  -0.12    -0.01  -0.01   0.03
    12   6     0.02  -0.01   0.02    -0.05   0.08  -0.08    -0.03   0.00  -0.06
    13   6     0.03  -0.02   0.03    -0.01   0.07  -0.01    -0.06   0.00  -0.10
    14   6     0.01   0.00   0.01     0.02   0.05   0.02    -0.04  -0.03  -0.04
    15   6    -0.02   0.02  -0.02     0.04   0.01   0.05     0.02  -0.09   0.02
    16   6    -0.01   0.00  -0.01    -0.00   0.04  -0.02    -0.02  -0.04  -0.05
    17   6    -0.01   0.00  -0.01     0.02   0.01   0.07     0.04  -0.03  -0.00
    18   6    -0.00  -0.00  -0.00    -0.07   0.04  -0.01    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.02  -0.06   0.03    -0.04   0.00   0.02
    20   6    -0.00   0.01  -0.01     0.01   0.05  -0.07    -0.06  -0.02  -0.00
    21  40     0.07   0.01   0.02     0.06   0.00   0.02     0.03   0.27  -0.06
    22  17    -0.05   0.06   0.04    -0.03   0.03   0.01     0.19  -0.28  -0.19
    23  17    -0.03  -0.03   0.02    -0.03  -0.03   0.03    -0.28  -0.33   0.29
    24   1    -0.11  -0.09  -0.15    -0.13  -0.12  -0.11     0.11   0.00   0.14
    25   1    -0.12  -0.11  -0.16    -0.02  -0.01   0.05    -0.05  -0.09  -0.07
    26   1     0.08  -0.26  -0.06    -0.08   0.08   0.06    -0.00  -0.15   0.01
    27   1    -0.09  -0.05  -0.24    -0.02   0.00   0.13    -0.07  -0.03  -0.10
    28   1     0.17   0.11   0.26    -0.11  -0.01  -0.13     0.03   0.05   0.09
    29   1    -0.17  -0.11   0.26     0.07   0.07  -0.13    -0.07  -0.04   0.09
    30   1    -0.28   0.12   0.00     0.14  -0.03  -0.03    -0.13   0.04   0.02
    31   1    -0.15  -0.12  -0.24     0.08   0.08   0.06    -0.05  -0.04  -0.11
    32   1     0.10   0.33  -0.03     0.01  -0.30  -0.03     0.07   0.19  -0.00
    33   1     0.19   0.01   0.25    -0.12  -0.03  -0.22     0.14  -0.01   0.14
    34   1    -0.05   0.01   0.03    -0.02  -0.09  -0.05     0.05   0.03  -0.05
    35   1    -0.04  -0.05  -0.01    -0.06  -0.06  -0.14     0.08   0.07   0.06
    36   1     0.00  -0.00  -0.00    -0.09   0.11  -0.15    -0.03   0.02   0.02
    37   1    -0.01  -0.01  -0.02    -0.07   0.07  -0.03    -0.01  -0.01   0.07
    38   1    -0.03   0.03  -0.03    -0.03   0.07  -0.05    -0.01  -0.08  -0.04
    39   1    -0.05   0.03  -0.04     0.04  -0.01   0.07     0.10  -0.15   0.10
    40   1    -0.02  -0.03  -0.07     0.10   0.12   0.21     0.10   0.06   0.13
    41   1    -0.05   0.06  -0.01     0.05  -0.17   0.12     0.14  -0.18  -0.01
    42   1     0.00  -0.00   0.00    -0.11   0.10  -0.12     0.01   0.07  -0.02
    43   1     0.01   0.00  -0.01    -0.15   0.09   0.10    -0.05   0.01   0.01
    44   1     0.00  -0.01   0.00     0.10  -0.17   0.11    -0.02  -0.01   0.06
    45   1    -0.01   0.00   0.01    -0.18  -0.13   0.06    -0.08  -0.02   0.02
    46   1    -0.01  -0.00  -0.03    -0.00  -0.05  -0.21    -0.03  -0.01  -0.00
    47   1     0.00   0.04  -0.02     0.00   0.20  -0.13    -0.08  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    343.9353               362.3437               366.6866
 Red. masses --     15.1032                 2.9050                 2.8677
 Frc consts  --      1.0526                 0.2247                 0.2272
 IR Inten    --     34.9847                20.0314                22.6028
 RamAct Fr= 1--      0.3029                 5.0018                 5.6969
  Dep-P Fr= 1--      0.4079                 0.4758                 0.4290
  Dep-U Fr= 1--      0.5794                 0.6448                 0.6005
 Alpha2 Fr= 1--      0.0022                 0.0275                 0.0379
 Beta2  Fr= 1--      0.0292                 0.5375                 0.5701
 AlphaG Fr= 1--     -0.0068                 0.0831                 0.0984
 Gamma2 Fr= 1--      1.9490                -0.8486                 1.0930
 Delta2 Fr= 1--     -0.2505                -0.7786                -0.0547
 Raman1 Fr= 1--       1.211                 20.007                 22.788
 ROA1   Fr= 1--     179.088               -106.382                103.180
 CID1   Fr= 1--     147.827                 -5.317                  4.528
 Raman2 Fr= 1--       0.351                  6.450                  6.842
 ROA2   Fr= 1--      48.779                -14.138                 26.670
 CID2   Fr= 1--     138.978                 -2.192                  3.898
 Raman3 Fr= 1--       0.702                 12.900                 13.683
 ROA3   Fr= 1--     179.088               -106.382                103.180
 CID3   Fr= 1--     255.122                 -8.246                  7.541
 RC180  Fr= 1--       0.159                  0.290                  0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.01  -0.10  -0.04     0.00   0.01   0.00
     2   6     0.05  -0.00   0.05     0.13   0.10   0.17    -0.01  -0.01  -0.01
     3   6    -0.00  -0.04  -0.02     0.12   0.10   0.17     0.00   0.00   0.00
     4   6     0.06   0.02  -0.02     0.01  -0.01  -0.05    -0.00  -0.00   0.00
     5   6    -0.01   0.01  -0.06    -0.02   0.04  -0.07     0.00  -0.00   0.01
     6   6     0.04   0.01   0.03     0.06   0.03   0.00    -0.00  -0.00  -0.00
     7   6    -0.10  -0.12  -0.11    -0.01   0.02   0.05     0.02   0.01   0.01
     8   6    -0.10  -0.10  -0.11    -0.09  -0.03  -0.06     0.01   0.00   0.00
     9   6    -0.03  -0.04  -0.06     0.03   0.04   0.03    -0.00  -0.01  -0.00
    10   6    -0.05  -0.04  -0.09     0.01   0.03   0.02    -0.00  -0.01  -0.00
    11   6    -0.06   0.04  -0.09     0.01  -0.01   0.02     0.01  -0.02  -0.00
    12   6    -0.03   0.04  -0.07     0.01  -0.01   0.02     0.02  -0.03   0.04
    13   6     0.05  -0.01   0.05    -0.00  -0.01  -0.00     0.13  -0.11   0.18
    14   6     0.01   0.02  -0.00     0.00  -0.01  -0.00     0.12  -0.10   0.17
    15   6    -0.07   0.08  -0.09     0.02  -0.01   0.01     0.01  -0.02   0.06
    16   6    -0.10   0.09  -0.12     0.01  -0.01   0.02    -0.08   0.04  -0.05
    17   6     0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.02  -0.02
    18   6     0.01   0.01  -0.01     0.00   0.00   0.00    -0.01   0.05  -0.01
    19   6     0.03  -0.02  -0.01     0.00   0.00   0.00     0.03  -0.02   0.00
    20   6     0.02   0.01  -0.03    -0.01  -0.01   0.00    -0.02   0.02  -0.12
    21  40    -0.08   0.06   0.24    -0.03  -0.01  -0.03    -0.02   0.02  -0.03
    22  17     0.18  -0.25  -0.19    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    23  17     0.13   0.14  -0.14     0.01   0.00   0.01     0.00  -0.00   0.00
    24   1    -0.16  -0.15  -0.16    -0.16  -0.06  -0.13     0.01   0.01   0.01
    25   1    -0.16  -0.17  -0.17    -0.07   0.01   0.02     0.02   0.02   0.01
    26   1     0.01  -0.22   0.04    -0.03  -0.53   0.07     0.00   0.05  -0.01
    27   1    -0.06  -0.05  -0.14    -0.12  -0.07  -0.45     0.02   0.01   0.04
    28   1     0.06   0.07   0.07     0.06   0.06   0.01    -0.01  -0.01  -0.01
    29   1    -0.01  -0.04   0.08     0.02   0.03   0.03     0.00   0.00  -0.01
    30   1    -0.12   0.08  -0.02    -0.12   0.16  -0.06     0.01  -0.01   0.01
    31   1    -0.04  -0.06  -0.16    -0.07  -0.06  -0.18     0.00   0.00   0.01
    32   1     0.08   0.16  -0.04     0.11  -0.29  -0.10    -0.00  -0.01   0.01
    33   1     0.14   0.00   0.07    -0.18   0.04  -0.21    -0.01   0.00  -0.00
    34   1    -0.07  -0.04  -0.03    -0.01   0.04   0.00    -0.01  -0.00   0.00
    35   1    -0.08  -0.08  -0.11     0.00   0.02   0.02    -0.01  -0.01  -0.01
    36   1    -0.09   0.09  -0.11     0.01  -0.02   0.02     0.01  -0.04  -0.00
    37   1    -0.08   0.03  -0.02     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    38   1    -0.14   0.13  -0.17     0.02  -0.01   0.03    -0.13   0.08  -0.12
    39   1    -0.10   0.10  -0.11     0.03  -0.01   0.01    -0.04   0.00   0.02
    40   1     0.03  -0.00  -0.03     0.01  -0.00  -0.01    -0.00  -0.11  -0.30
    41   1    -0.03   0.04   0.03     0.01  -0.00  -0.01    -0.16   0.25  -0.01
    42   1    -0.01   0.02  -0.05     0.00   0.01  -0.00    -0.05   0.08  -0.10
    43   1    -0.01   0.03   0.02    -0.00   0.01   0.01    -0.04   0.10   0.07
    44   1     0.04  -0.03   0.01    -0.00   0.01   0.00     0.06  -0.04   0.03
    45   1     0.00  -0.03  -0.00     0.01   0.01   0.00    -0.03  -0.02   0.04
    46   1     0.01  -0.03  -0.08    -0.01  -0.01  -0.00    -0.23  -0.25  -0.41
    47   1     0.02   0.05  -0.05    -0.01   0.00   0.00     0.00   0.43  -0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --    413.4526               424.4619               429.5910
 Red. masses --      4.1794                 3.0073                 2.9845
 Frc consts  --      0.4209                 0.3192                 0.3245
 IR Inten    --      4.1315                 0.2912                 0.8004
 RamAct Fr= 1--      7.7767                 1.4215                 1.1511
  Dep-P Fr= 1--      0.4813                 0.5478                 0.4855
  Dep-U Fr= 1--      0.6499                 0.7079                 0.6537
 Alpha2 Fr= 1--      0.0418                 0.0055                 0.0061
 Beta2  Fr= 1--      0.8423                 0.1677                 0.1254
 AlphaG Fr= 1--      0.5218                 0.0445                 0.0327
 Gamma2 Fr= 1--     -3.3403                -0.3900                 0.7464
 Delta2 Fr= 1--     -0.4439                -0.1218                 0.0877
 Raman1 Fr= 1--      31.107                  5.686                  4.605
 ROA1   Fr= 1--    -334.877                -41.339                 74.463
 CID1   Fr= 1--     -10.765                 -7.270                 16.172
 Raman2 Fr= 1--      10.108                  2.012                  1.505
 ROA2   Fr= 1--     -76.616                 -8.386                 17.212
 CID2   Fr= 1--      -7.580                 -4.167                 11.438
 Raman3 Fr= 1--      20.216                  4.025                  3.010
 ROA3   Fr= 1--    -334.877                -41.339                 74.463
 CID3   Fr= 1--     -16.565                -10.271                 24.740
 RC180  Fr= 1--       0.300                  0.416                  0.307
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.03     0.01  -0.03   0.02    -0.05   0.05  -0.03
     2   6     0.03   0.05   0.10     0.00  -0.02   0.02    -0.04   0.14   0.01
     3   6    -0.08  -0.06  -0.06    -0.04  -0.05  -0.01     0.09   0.15  -0.05
     4   6     0.01   0.04  -0.02     0.01   0.02  -0.02    -0.01   0.01   0.00
     5   6     0.02  -0.00  -0.03     0.01   0.02  -0.02     0.03  -0.11   0.02
     6   6     0.03  -0.00   0.01     0.03   0.01  -0.01    -0.10  -0.10   0.07
     7   6    -0.07  -0.07  -0.04    -0.05  -0.01   0.01     0.14  -0.02  -0.08
     8   6     0.09   0.06   0.13     0.02   0.04   0.04    -0.02  -0.13   0.01
     9   6     0.09   0.11   0.16     0.02   0.02   0.02    -0.10   0.00   0.06
    10   6    -0.00   0.06   0.03    -0.01  -0.00  -0.02     0.05   0.07  -0.01
    11   6    -0.02   0.05  -0.02     0.03  -0.04  -0.03     0.01  -0.00  -0.02
    12   6    -0.10   0.09  -0.14    -0.13   0.04   0.00    -0.05   0.02  -0.01
    13   6    -0.06   0.11  -0.08    -0.10  -0.08  -0.06    -0.05  -0.01  -0.03
    14   6     0.00  -0.01   0.10     0.05  -0.11  -0.09     0.00  -0.04  -0.01
    15   6    -0.02  -0.08   0.11     0.16   0.00  -0.06     0.02  -0.01  -0.00
    16   6    -0.13   0.02  -0.11     0.00   0.13   0.01    -0.03   0.03  -0.01
    17   6     0.05   0.07   0.02    -0.05  -0.06  -0.01     0.00   0.00  -0.00
    18   6     0.05   0.01  -0.08    -0.07   0.05   0.15     0.00   0.02   0.01
    19   6     0.02  -0.05  -0.04     0.06   0.09   0.07     0.02   0.01   0.00
    20   6    -0.00  -0.04  -0.06    -0.02  -0.01  -0.00    -0.01  -0.03  -0.01
    21  40     0.01  -0.05  -0.00     0.01  -0.01   0.01     0.00  -0.01   0.01
    22  17    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    23  17     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.14   0.07   0.19     0.02   0.06   0.04    -0.01  -0.30   0.06
    25   1    -0.10  -0.10  -0.09    -0.08  -0.01   0.01     0.27  -0.09  -0.15
    26   1    -0.02  -0.20   0.07     0.02  -0.07   0.02    -0.08   0.07  -0.02
    27   1    -0.02  -0.04  -0.13    -0.02  -0.03  -0.01     0.12   0.05  -0.07
    28   1     0.01   0.03   0.01    -0.01   0.02  -0.04     0.04  -0.01   0.19
    29   1     0.04  -0.03   0.02     0.06   0.02  -0.03    -0.22  -0.17   0.17
    30   1     0.02   0.02  -0.04    -0.00   0.04  -0.03     0.15  -0.21  -0.01
    31   1     0.01  -0.03  -0.02    -0.00  -0.01  -0.03     0.09   0.02   0.13
    32   1    -0.01   0.23  -0.03     0.00   0.09  -0.02    -0.00  -0.02   0.00
    33   1     0.16  -0.01   0.10     0.09  -0.01   0.01    -0.17   0.05   0.09
    34   1    -0.06   0.12  -0.04    -0.05   0.03  -0.03     0.25  -0.08  -0.18
    35   1    -0.01   0.07   0.01    -0.04  -0.02  -0.05     0.14   0.36   0.02
    36   1    -0.01   0.08   0.00     0.11  -0.29   0.00     0.04  -0.11  -0.01
    37   1     0.01   0.09   0.05     0.23   0.11  -0.16     0.09   0.05  -0.08
    38   1    -0.19  -0.01  -0.19     0.02   0.28   0.06    -0.03   0.06  -0.01
    39   1    -0.04  -0.14   0.18     0.32   0.04  -0.09     0.06  -0.01  -0.00
    40   1     0.11   0.20   0.23    -0.09  -0.11  -0.06     0.01   0.02   0.02
    41   1     0.13  -0.17   0.07     0.04   0.04  -0.12     0.06  -0.02  -0.03
    42   1     0.04  -0.05  -0.05    -0.11   0.17  -0.02    -0.01   0.03  -0.02
    43   1     0.09   0.01  -0.11    -0.18   0.11   0.28    -0.01   0.03   0.04
    44   1     0.06  -0.05   0.07    -0.06   0.16  -0.10    -0.00   0.04  -0.01
    45   1    -0.05  -0.11  -0.05     0.23   0.19   0.07     0.06   0.02  -0.00
    46   1    -0.08  -0.14  -0.17    -0.08  -0.07  -0.07    -0.03  -0.05  -0.04
    47   1     0.05   0.13  -0.15    -0.17   0.09   0.02    -0.04   0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    449.0353               456.1609               473.0541
 Red. masses --      3.5708                 4.2706                 3.7287
 Frc consts  --      0.4242                 0.5236                 0.4916
 IR Inten    --      1.4325                 1.9354                10.8301
 RamAct Fr= 1--      1.8412                 2.4195                 0.3931
  Dep-P Fr= 1--      0.3035                 0.5435                 0.7327
  Dep-U Fr= 1--      0.4657                 0.7043                 0.8457
 Alpha2 Fr= 1--      0.0187                 0.0096                 0.0001
 Beta2  Fr= 1--      0.1429                 0.2840                 0.0554
 AlphaG Fr= 1--     -0.0933                 0.0628                -0.0064
 Gamma2 Fr= 1--     -0.9097                 1.6764                -0.7591
 Delta2 Fr= 1--     -0.9413                 0.5642                -0.5474
 Raman1 Fr= 1--       7.365                  9.678                  1.573
 ROA1   Fr= 1--    -117.449                178.988                -90.392
 CID1   Fr= 1--     -15.947                 18.494                -57.482
 Raman2 Fr= 1--       1.715                  3.408                  0.665
 ROA2   Fr= 1--     -14.301                 35.720                -13.839
 CID2   Fr= 1--      -8.340                 10.481                -20.812
 Raman3 Fr= 1--       3.430                  6.816                  1.330
 ROA3   Fr= 1--    -117.449                178.988                -90.392
 CID3   Fr= 1--     -34.247                 26.260                -67.967
 RC180  Fr= 1--      -0.069                  0.409                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10   0.10     0.03  -0.07   0.05     0.07  -0.05  -0.01
     2   6    -0.08  -0.00   0.08    -0.07  -0.04  -0.00    -0.10  -0.05  -0.09
     3   6    -0.05  -0.03  -0.02    -0.05  -0.01   0.01    -0.06   0.04   0.02
     4   6     0.07   0.07  -0.11     0.02   0.06  -0.07    -0.05   0.09  -0.06
     5   6     0.14  -0.06  -0.14     0.09  -0.01  -0.09     0.04   0.02  -0.05
     6   6     0.05  -0.07   0.02     0.07  -0.03  -0.01     0.12  -0.00  -0.03
     7   6    -0.02  -0.01   0.04    -0.02   0.04   0.07    -0.01   0.08   0.09
     8   6    -0.02   0.01   0.10    -0.06   0.01   0.03    -0.12  -0.02  -0.03
     9   6    -0.10   0.04   0.07    -0.09  -0.02  -0.01    -0.12  -0.08  -0.06
    10   6    -0.05   0.09  -0.06    -0.04   0.01  -0.03     0.07   0.00   0.12
    11   6    -0.04   0.06  -0.08    -0.04  -0.11  -0.00     0.09   0.05   0.12
    12   6     0.09  -0.01  -0.01    -0.07  -0.08   0.14    -0.02   0.07  -0.02
    13   6     0.11  -0.03   0.05    -0.11   0.02   0.05     0.00  -0.03  -0.06
    14   6     0.04   0.04  -0.00    -0.08   0.03  -0.03    -0.01  -0.09   0.03
    15   6     0.02   0.01  -0.02    -0.10   0.06  -0.01     0.04  -0.04   0.04
    16   6     0.08  -0.02  -0.01    -0.02  -0.04   0.15    -0.06   0.06  -0.05
    17   6    -0.04  -0.07  -0.02     0.02   0.15   0.07     0.07  -0.03  -0.07
    18   6    -0.06  -0.05   0.03     0.10   0.08  -0.03     0.05   0.00  -0.08
    19   6    -0.09   0.01   0.02     0.20  -0.03  -0.06    -0.11  -0.01   0.01
    20   6     0.00   0.09   0.06     0.06  -0.11  -0.11    -0.10  -0.05   0.03
    21  40    -0.01   0.00  -0.02     0.01   0.01  -0.01     0.02   0.00   0.02
    22  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.05   0.14    -0.07   0.00   0.02    -0.16  -0.01  -0.08
    25   1    -0.02   0.00   0.05    -0.02   0.07   0.11     0.04   0.12   0.14
    26   1     0.00  -0.11   0.10     0.07  -0.05   0.03     0.16  -0.02  -0.05
    27   1     0.04  -0.10   0.06     0.03  -0.07   0.06     0.05  -0.05   0.01
    28   1     0.01   0.14   0.07     0.02   0.08  -0.01     0.07   0.02  -0.07
    29   1     0.02  -0.18   0.08     0.09  -0.08   0.01     0.17  -0.01  -0.05
    30   1     0.27  -0.10  -0.19     0.14  -0.01  -0.13     0.05   0.06  -0.08
    31   1     0.17  -0.01   0.02     0.08  -0.03   0.00    -0.00  -0.09   0.02
    32   1     0.10   0.29  -0.15     0.04   0.15  -0.10    -0.04   0.08  -0.06
    33   1     0.20   0.02   0.09     0.10   0.04   0.01    -0.03   0.08  -0.05
    34   1     0.01   0.04  -0.09     0.04  -0.04  -0.13     0.24  -0.15   0.10
    35   1    -0.05   0.20  -0.10     0.01   0.12  -0.01     0.15   0.14   0.18
    36   1    -0.09   0.18  -0.10    -0.01  -0.28  -0.01     0.18  -0.06   0.19
    37   1    -0.17  -0.05  -0.05     0.03  -0.08  -0.15     0.22   0.15   0.04
    38   1     0.09  -0.05  -0.01     0.01  -0.00   0.20    -0.09   0.06  -0.09
    39   1    -0.01   0.02  -0.03    -0.15   0.08  -0.04     0.12  -0.04   0.04
    40   1    -0.09  -0.16  -0.13     0.07   0.20   0.11     0.14   0.04   0.00
    41   1    -0.14   0.06  -0.01     0.09   0.07   0.06     0.11  -0.14  -0.05
    42   1    -0.00   0.00   0.06    -0.05  -0.04  -0.12     0.14   0.00   0.05
    43   1    -0.08  -0.09   0.01     0.13   0.14   0.02     0.10  -0.05  -0.17
    44   1    -0.04  -0.07  -0.01     0.11   0.09  -0.04    -0.05  -0.01   0.15
    45   1    -0.14   0.02   0.06     0.29  -0.03  -0.12    -0.20  -0.07   0.01
    46   1     0.03   0.15   0.14     0.11  -0.16  -0.20    -0.15  -0.03   0.08
    47   1     0.04  -0.03   0.09     0.00  -0.00  -0.13    -0.07  -0.08   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --    499.6468               519.7210               576.4914
 Red. masses --      2.7268                 2.6987                 2.8733
 Frc consts  --      0.4011                 0.4295                 0.5626
 IR Inten    --      0.2171                 1.1899                 0.4960
 RamAct Fr= 1--      1.4353                 1.0675                 5.0499
  Dep-P Fr= 1--      0.7330                 0.2891                 0.0592
  Dep-U Fr= 1--      0.8459                 0.4485                 0.1118
 Alpha2 Fr= 1--      0.0004                 0.0113                 0.0976
 Beta2  Fr= 1--      0.2024                 0.0798                 0.0941
 AlphaG Fr= 1--     -0.0084                 0.0232                -0.2161
 Gamma2 Fr= 1--     -0.3086                -0.3236                -0.2683
 Delta2 Fr= 1--      0.3216                 0.1211                 0.2988
 Raman1 Fr= 1--       5.741                  4.270                 20.200
 ROA1   Fr= 1--     -19.338                -27.192                -16.193
 CID1   Fr= 1--      -3.368                 -6.368                 -0.802
 Raman2 Fr= 1--       2.428                  0.958                  1.129
 ROA2   Fr= 1--      -9.981                 -8.735                 -8.829
 CID2   Fr= 1--      -4.110                 -9.122                 -7.817
 Raman3 Fr= 1--       4.857                  1.915                  2.259
 ROA3   Fr= 1--     -19.338                -27.192                -16.193
 CID3   Fr= 1--      -3.982                -14.198                 -7.169
 RC180  Fr= 1--       0.692                 -0.103                 -0.776
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02  -0.05     0.02  -0.01   0.00    -0.00  -0.03   0.03
     2   6    -0.03   0.04  -0.02     0.01   0.02   0.03    -0.04  -0.03  -0.01
     3   6    -0.07   0.05  -0.05    -0.01  -0.01  -0.04     0.02  -0.03  -0.01
     4   6    -0.12   0.08   0.01    -0.03  -0.00   0.03     0.04  -0.05   0.03
     5   6    -0.07   0.05   0.06    -0.05   0.03   0.06    -0.01   0.02   0.03
     6   6     0.15   0.03  -0.03     0.04   0.02  -0.01     0.03   0.02   0.00
     7   6     0.04  -0.04   0.01     0.03  -0.07  -0.03     0.03  -0.03  -0.02
     8   6     0.02  -0.08   0.11     0.07  -0.04   0.08     0.03  -0.03   0.01
     9   6    -0.08  -0.07   0.04    -0.03  -0.01   0.02    -0.05   0.02  -0.01
    10   6     0.03  -0.05  -0.02    -0.04   0.00  -0.10    -0.02   0.14   0.03
    11   6    -0.02  -0.03  -0.01    -0.04  -0.00  -0.10     0.05   0.21  -0.04
    12   6     0.03  -0.02  -0.05    -0.05   0.02   0.07     0.02   0.09  -0.04
    13   6     0.01   0.04   0.00     0.03  -0.07   0.07     0.04  -0.01  -0.01
    14   6     0.02   0.06  -0.00    -0.01  -0.03  -0.01    -0.06  -0.05   0.01
    15   6    -0.02  -0.02  -0.01     0.05   0.08   0.01    -0.12   0.02  -0.03
    16   6     0.01  -0.05  -0.05     0.04   0.09   0.12     0.04  -0.09   0.09
    17   6    -0.06  -0.00   0.04     0.07   0.02  -0.03     0.03  -0.05  -0.03
    18   6    -0.06  -0.02   0.07     0.08   0.02  -0.10     0.00  -0.00   0.03
    19   6     0.05   0.00   0.00    -0.10  -0.00  -0.00     0.04  -0.02   0.01
    20   6     0.07   0.06  -0.01    -0.07  -0.03   0.02    -0.07  -0.13  -0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.04  -0.12   0.14     0.11  -0.09   0.13     0.05  -0.09   0.04
    25   1     0.17  -0.08  -0.03     0.07  -0.10  -0.07     0.03  -0.03  -0.02
    26   1     0.16  -0.21  -0.03     0.04  -0.14   0.02     0.04  -0.06   0.02
    27   1     0.00  -0.01  -0.23    -0.04   0.00  -0.12    -0.05  -0.03   0.01
    28   1     0.04  -0.14  -0.16    -0.04  -0.09  -0.10    -0.08  -0.06  -0.10
    29   1     0.28   0.13  -0.16     0.14   0.10  -0.10     0.13   0.09  -0.09
    30   1    -0.19   0.17   0.08    -0.15   0.10   0.08    -0.16   0.10   0.08
    31   1    -0.16  -0.17   0.00    -0.09  -0.07  -0.05    -0.05  -0.06  -0.14
    32   1    -0.18   0.02   0.07    -0.07  -0.04   0.06     0.02  -0.13   0.06
    33   1    -0.15   0.09  -0.05    -0.04   0.00  -0.03     0.01  -0.04  -0.07
    34   1     0.17  -0.16  -0.12    -0.04  -0.00  -0.10    -0.01   0.11   0.18
    35   1     0.09   0.14   0.01    -0.07   0.05  -0.15    -0.08   0.08  -0.03
    36   1    -0.08   0.09  -0.04    -0.04  -0.14  -0.14     0.08   0.19  -0.00
    37   1    -0.10  -0.08   0.09     0.02   0.04  -0.15     0.06   0.21  -0.08
    38   1     0.01  -0.08  -0.06     0.05   0.19   0.16     0.06  -0.23   0.09
    39   1    -0.09  -0.04   0.01     0.13   0.14  -0.06    -0.14   0.05  -0.07
    40   1    -0.12  -0.05   0.01     0.17   0.06  -0.06    -0.04  -0.12  -0.11
    41   1    -0.07   0.07   0.02     0.04  -0.05   0.02    -0.00   0.07  -0.06
    42   1    -0.11   0.01  -0.04     0.18  -0.07   0.11    -0.05   0.14  -0.17
    43   1    -0.12   0.01   0.14     0.20  -0.05  -0.26    -0.13   0.08   0.20
    44   1     0.01  -0.01  -0.12     0.03  -0.05   0.21    -0.15   0.18  -0.10
    45   1     0.12   0.06   0.01    -0.29  -0.11  -0.00     0.30   0.08  -0.04
    46   1     0.08   0.03  -0.06    -0.06   0.07   0.16    -0.10  -0.22  -0.14
    47   1     0.06   0.09  -0.02    -0.03  -0.18   0.07    -0.13   0.04  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    602.1491               620.6774               636.4830
 Red. masses --      2.8842                 3.7659                 3.7543
 Frc consts  --      0.6161                 0.8548                 0.8961
 IR Inten    --      0.1200                 0.7360                 0.5142
 RamAct Fr= 1--      1.6880                 0.5704                 1.1134
  Dep-P Fr= 1--      0.3627                 0.6717                 0.5773
  Dep-U Fr= 1--      0.5323                 0.8036                 0.7320
 Alpha2 Fr= 1--      0.0142                 0.0008                 0.0036
 Beta2  Fr= 1--      0.1498                 0.0764                 0.1358
 AlphaG Fr= 1--     -0.0659                -0.0165                 0.0201
 Gamma2 Fr= 1--     -1.0427                 0.9568                -0.9902
 Delta2 Fr= 1--      0.1466                -0.2718                -1.2131
 Raman1 Fr= 1--       6.752                  2.282                  4.453
 ROA1   Fr= 1--     -95.403                 83.157               -133.882
 CID1   Fr= 1--     -14.129                 36.445                -30.063
 Raman2 Fr= 1--       1.797                  0.917                  1.630
 ROA2   Fr= 1--     -26.197                 25.138                -14.061
 CID2   Fr= 1--     -14.576                 27.418                 -8.626
 Raman3 Fr= 1--       3.594                  1.834                  3.260
 ROA3   Fr= 1--     -95.403                 83.157               -133.882
 CID3   Fr= 1--     -26.542                 45.351                -41.068
 RC180  Fr= 1--       0.065                  0.607                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.03    -0.01   0.00   0.05     0.00  -0.00  -0.00
     2   6    -0.11  -0.08  -0.07     0.06   0.06   0.08    -0.02  -0.01  -0.02
     3   6     0.05  -0.04   0.00    -0.15  -0.15  -0.16    -0.00  -0.01   0.00
     4   6     0.10  -0.10   0.04    -0.07  -0.01  -0.03     0.00  -0.00   0.00
     5   6     0.00   0.02   0.04    -0.04   0.01   0.03     0.00   0.00   0.00
     6   6     0.04   0.02   0.00    -0.02   0.01   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.01  -0.03     0.21   0.10   0.15     0.01   0.00   0.01
     8   6    -0.02  -0.03  -0.05    -0.09  -0.15  -0.16    -0.02  -0.02  -0.02
     9   6    -0.03   0.10   0.04     0.12   0.07   0.04     0.02   0.03   0.03
    10   6    -0.07   0.19   0.04     0.01   0.03  -0.02    -0.01   0.00  -0.01
    11   6    -0.04  -0.05   0.01     0.00   0.01  -0.03    -0.02  -0.06   0.00
    12   6     0.04  -0.08   0.06     0.02  -0.01   0.02     0.01  -0.03  -0.01
    13   6    -0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.09   0.11  -0.13
    14   6     0.02   0.03  -0.01    -0.02   0.00  -0.01     0.20  -0.17   0.21
    15   6     0.06  -0.05   0.02     0.01  -0.00   0.01    -0.05   0.13  -0.18
    16   6    -0.06   0.03  -0.09    -0.01   0.01  -0.01     0.13  -0.06   0.02
    17   6    -0.02   0.02   0.01     0.00   0.00   0.00    -0.05   0.05   0.01
    18   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.00  -0.00
    19   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.07   0.02   0.02
    20   6     0.05   0.07   0.00    -0.01  -0.02  -0.00     0.00  -0.02   0.07
    21  40    -0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.13  -0.01    -0.17  -0.24  -0.24    -0.03  -0.03  -0.02
    25   1     0.06   0.02   0.02     0.37   0.20   0.29     0.02   0.01   0.02
    26   1     0.09   0.00  -0.02    -0.05  -0.14   0.10     0.02   0.02  -0.02
    27   1    -0.06  -0.04   0.09    -0.06   0.01  -0.08    -0.00  -0.01   0.02
    28   1    -0.12  -0.09  -0.14    -0.07  -0.05  -0.05    -0.00  -0.00  -0.01
    29   1     0.19   0.14  -0.14     0.06   0.04  -0.04     0.01   0.01  -0.01
    30   1    -0.25   0.16   0.13     0.05  -0.00  -0.02    -0.01   0.01   0.00
    31   1    -0.06  -0.10  -0.27    -0.02   0.04   0.12    -0.00  -0.01  -0.01
    32   1     0.07  -0.26   0.08    -0.15   0.33   0.01     0.00  -0.01   0.00
    33   1     0.03  -0.07  -0.14     0.22  -0.10   0.14     0.00  -0.00  -0.01
    34   1    -0.02   0.17  -0.14    -0.12   0.13   0.05    -0.02   0.02  -0.07
    35   1    -0.01   0.30   0.08    -0.05  -0.10  -0.06     0.00   0.03   0.00
    36   1     0.05  -0.17   0.10    -0.04   0.05  -0.07    -0.03  -0.02  -0.00
    37   1    -0.03  -0.08  -0.25    -0.05  -0.02   0.01    -0.05  -0.09  -0.01
    38   1    -0.08   0.09  -0.11    -0.02   0.02  -0.02     0.18  -0.07   0.09
    39   1     0.07  -0.09   0.08     0.04  -0.01   0.03    -0.16   0.24  -0.32
    40   1    -0.00   0.06   0.07     0.00   0.00  -0.00     0.01   0.20   0.26
    41   1     0.02  -0.05   0.01     0.00   0.00  -0.00     0.07  -0.21   0.04
    42   1    -0.00  -0.06   0.07    -0.00   0.01  -0.01     0.03  -0.11   0.19
    43   1     0.05  -0.03  -0.06    -0.00   0.01   0.01     0.10  -0.06  -0.16
    44   1     0.07  -0.08   0.01    -0.02   0.02  -0.00    -0.04  -0.02   0.03
    45   1    -0.09  -0.02   0.02     0.03   0.01  -0.01    -0.09  -0.03  -0.00
    46   1     0.07   0.10   0.04     0.00  -0.01  -0.00    -0.31  -0.21  -0.09
    47   1     0.06  -0.00   0.02    -0.03  -0.02   0.00     0.07   0.29  -0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --    656.9391               669.6875               689.9996
 Red. masses --      3.3569                 3.8625                 3.9297
 Frc consts  --      0.8536                 1.0206                 1.1023
 IR Inten    --      2.0101                 1.5602                 0.0628
 RamAct Fr= 1--      4.5455                 2.8443                18.9453
  Dep-P Fr= 1--      0.3396                 0.2079                 0.0416
  Dep-U Fr= 1--      0.5070                 0.3443                 0.0798
 Alpha2 Fr= 1--      0.0413                 0.0378                 0.3818
 Beta2  Fr= 1--      0.3841                 0.1632                 0.2521
 AlphaG Fr= 1--     -0.2456                 0.1192                -0.3079
 Gamma2 Fr= 1--     -1.3975                -0.9163                -2.7716
 Delta2 Fr= 1--      0.4023                -0.9124                -0.3098
 Raman1 Fr= 1--      18.182                 11.377                 75.781
 ROA1   Fr= 1--    -121.291               -117.158               -275.984
 CID1   Fr= 1--      -6.671                -10.298                 -3.642
 Raman2 Fr= 1--       4.609                  1.958                  3.025
 ROA2   Fr= 1--     -36.760                -14.692                -64.040
 CID2   Fr= 1--      -7.976                 -7.502                -21.169
 Raman3 Fr= 1--       9.218                  3.917                  6.050
 ROA3   Fr= 1--    -121.291               -117.158               -275.984
 CID3   Fr= 1--     -13.158                -29.911                -45.615
 RC180  Fr= 1--       0.014                 -0.311                 -0.840
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.03     0.04   0.03  -0.15    -0.06  -0.19   0.23
     2   6     0.00  -0.00   0.01    -0.11  -0.11  -0.15    -0.08  -0.09  -0.04
     3   6     0.01   0.04   0.01     0.02   0.05   0.15     0.06   0.13   0.04
     4   6    -0.03   0.05  -0.01    -0.04   0.06   0.00    -0.11   0.19  -0.05
     5   6    -0.01   0.00  -0.00     0.00   0.01  -0.02    -0.03   0.03   0.02
     6   6    -0.00  -0.01   0.01     0.05  -0.01  -0.05    -0.04  -0.04   0.05
     7   6    -0.01  -0.03  -0.03    -0.01  -0.09   0.09     0.07  -0.03  -0.10
     8   6     0.04   0.01   0.02    -0.09  -0.10   0.01     0.09  -0.00  -0.12
     9   6    -0.03  -0.03  -0.04     0.18   0.11   0.22     0.12   0.06  -0.02
    10   6     0.02  -0.01  -0.05     0.02   0.01  -0.04     0.04  -0.02  -0.01
    11   6     0.06   0.04  -0.05    -0.00   0.00  -0.08     0.00  -0.01   0.01
    12   6     0.24  -0.11   0.16    -0.02   0.02  -0.04    -0.05   0.02  -0.00
    13   6    -0.06   0.06  -0.06     0.03  -0.02   0.04    -0.01  -0.01  -0.01
    14   6    -0.05  -0.01   0.01    -0.04   0.01  -0.03     0.01   0.00   0.01
    15   6     0.09   0.03   0.05     0.02   0.02   0.01    -0.03  -0.01  -0.00
    16   6    -0.03   0.11  -0.12     0.03   0.02   0.01    -0.03  -0.02   0.04
    17   6    -0.04   0.07   0.02     0.00   0.02   0.03     0.01  -0.04  -0.03
    18   6    -0.02   0.00   0.03     0.01   0.00   0.00     0.01  -0.00  -0.01
    19   6    -0.02  -0.02   0.02    -0.01  -0.01  -0.00     0.02   0.01  -0.00
    20   6    -0.10  -0.15   0.01    -0.04  -0.05  -0.01     0.03   0.05   0.00
    21  40    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.06   0.02   0.05    -0.19  -0.17  -0.10     0.10   0.01  -0.12
    25   1    -0.00  -0.05  -0.06    -0.00  -0.13   0.05     0.12  -0.04  -0.11
    26   1    -0.01  -0.03   0.04     0.11   0.35  -0.25     0.01  -0.14   0.19
    27   1    -0.01  -0.02   0.02     0.12   0.00   0.19    -0.12  -0.19   0.27
    28   1    -0.03   0.01  -0.01     0.26   0.05   0.11    -0.35  -0.01  -0.14
    29   1     0.02  -0.02  -0.00    -0.15  -0.07   0.10     0.19   0.00  -0.10
    30   1     0.03  -0.01  -0.02     0.07  -0.04  -0.04     0.03   0.04  -0.02
    31   1    -0.01  -0.00   0.06    -0.00  -0.02   0.11    -0.06  -0.03   0.16
    32   1    -0.02   0.02  -0.02     0.03  -0.07  -0.04    -0.09   0.04  -0.05
    33   1    -0.07   0.06   0.00    -0.12   0.09  -0.06    -0.28   0.23  -0.06
    34   1    -0.08   0.04   0.21    -0.18   0.18   0.00    -0.12   0.11   0.07
    35   1    -0.14  -0.17  -0.18    -0.11  -0.09  -0.16    -0.02  -0.23  -0.02
    36   1    -0.10   0.30  -0.17    -0.11   0.13  -0.18    -0.03  -0.01  -0.03
    37   1    -0.23  -0.18   0.10    -0.09  -0.04   0.11     0.02   0.02   0.09
    38   1    -0.09   0.14  -0.20     0.04   0.01   0.03    -0.02  -0.01   0.05
    39   1     0.21   0.00   0.10     0.05   0.01   0.02    -0.05  -0.00  -0.02
    40   1    -0.03   0.14   0.15    -0.01  -0.01  -0.03     0.01  -0.04  -0.03
    41   1     0.03  -0.06   0.03    -0.04   0.07   0.04     0.02  -0.03  -0.04
    42   1    -0.04  -0.05   0.04    -0.01  -0.00  -0.01     0.02   0.04  -0.03
    43   1     0.04   0.04   0.03    -0.00   0.01   0.02    -0.02  -0.00   0.00
    44   1    -0.21   0.18  -0.05    -0.05   0.05   0.01     0.07  -0.05   0.01
    45   1     0.21   0.05  -0.06     0.04   0.01  -0.01    -0.05  -0.01   0.02
    46   1    -0.10  -0.21  -0.08     0.00  -0.03   0.01     0.03   0.06   0.02
    47   1    -0.16  -0.03  -0.02    -0.06  -0.08   0.01     0.05   0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    696.3668               722.5710               742.3685
 Red. masses --      3.8976                 3.4320                 2.4451
 Frc consts  --      1.1136                 1.0557                 0.7939
 IR Inten    --      0.9322                 0.3531                 0.4257
 RamAct Fr= 1--      6.3233                 5.0619                 1.1558
  Dep-P Fr= 1--      0.1415                 0.2265                 0.6177
  Dep-U Fr= 1--      0.2480                 0.3694                 0.7637
 Alpha2 Fr= 1--      0.0999                 0.0640                 0.0028
 Beta2  Fr= 1--      0.2613                 0.3116                 0.1471
 AlphaG Fr= 1--      0.0785                -0.3166                -0.0094
 Gamma2 Fr= 1--     -0.5380                 0.4877                 0.3734
 Delta2 Fr= 1--     -0.2915                -0.6688                 0.3907
 Raman1 Fr= 1--      25.293                 20.248                  4.623
 ROA1   Fr= 1--     -60.976                 25.416                 48.348
 CID1   Fr= 1--      -2.411                  1.255                 10.458
 Raman2 Fr= 1--       3.136                  3.739                  1.765
 ROA2   Fr= 1--     -10.579                 17.054                  5.836
 CID2   Fr= 1--      -3.374                  4.561                  3.306
 Raman3 Fr= 1--       6.272                  7.478                  3.531
 ROA3   Fr= 1--     -60.976                 25.416                 48.348
 CID3   Fr= 1--      -9.722                  3.399                 13.694
 RC180  Fr= 1--      -0.504                 -0.261                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.06     0.04   0.02  -0.06     0.03  -0.02  -0.01
     2   6    -0.02   0.00   0.00     0.08  -0.02   0.03     0.07  -0.03   0.02
     3   6     0.01   0.02  -0.03    -0.02  -0.03   0.08    -0.00  -0.03   0.07
     4   6     0.02  -0.01  -0.00    -0.08   0.05  -0.01    -0.07   0.05  -0.02
     5   6     0.01  -0.00   0.01    -0.05   0.02  -0.00    -0.05   0.03   0.00
     6   6    -0.01  -0.01   0.02    -0.01   0.01  -0.03    -0.02   0.00  -0.02
     7   6     0.01   0.04  -0.04     0.00  -0.11   0.08     0.01  -0.09   0.05
     8   6    -0.01   0.03  -0.03     0.09  -0.05  -0.00     0.10  -0.03  -0.06
     9   6    -0.00   0.01  -0.00    -0.02  -0.04  -0.10     0.00  -0.00  -0.09
    10   6     0.02  -0.01   0.05     0.00   0.14   0.03    -0.09   0.09   0.03
    11   6     0.02   0.01   0.02     0.02   0.16  -0.03    -0.09  -0.07   0.03
    12   6    -0.04   0.03  -0.16     0.00  -0.03   0.10     0.01  -0.00  -0.07
    13   6     0.07  -0.05   0.15    -0.05  -0.06   0.01     0.04   0.03   0.01
    14   6    -0.00  -0.05  -0.11     0.06  -0.08  -0.05    -0.03   0.05   0.03
    15   6     0.07  -0.06  -0.10    -0.01  -0.13  -0.10     0.02   0.07   0.04
    16   6     0.11  -0.04  -0.08    -0.10  -0.07   0.01     0.09   0.02  -0.06
    17   6    -0.08   0.23   0.21    -0.07   0.05   0.04     0.03   0.01   0.01
    18   6    -0.05   0.04   0.05    -0.02   0.04   0.00     0.00  -0.02   0.01
    19   6    -0.04  -0.00  -0.02     0.04   0.04  -0.02    -0.04  -0.03   0.01
    20   6    -0.07  -0.12  -0.05     0.07   0.08  -0.02    -0.05  -0.06   0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.01   0.03  -0.01     0.09  -0.02  -0.00     0.11   0.03  -0.07
    25   1     0.03   0.06  -0.03    -0.07  -0.14   0.05    -0.06  -0.08   0.06
    26   1     0.00  -0.08   0.06    -0.04   0.10  -0.04    -0.02   0.06  -0.01
    27   1    -0.04  -0.03   0.00     0.05   0.01   0.04     0.03  -0.02   0.07
    28   1    -0.13  -0.02  -0.06     0.17   0.04   0.10     0.08   0.03   0.06
    29   1     0.09   0.03  -0.05    -0.15  -0.07   0.09    -0.11  -0.05   0.05
    30   1    -0.06   0.04   0.03     0.16  -0.09  -0.07     0.14  -0.07  -0.07
    31   1    -0.00  -0.03  -0.08    -0.01   0.09   0.25    -0.02   0.10   0.24
    32   1    -0.00  -0.04   0.02    -0.02   0.13  -0.06    -0.01   0.12  -0.07
    33   1    -0.01   0.00  -0.03     0.00   0.03   0.07     0.00   0.03   0.05
    34   1     0.06  -0.04   0.00    -0.02   0.12   0.24     0.07  -0.00  -0.31
    35   1     0.06   0.02   0.09    -0.07   0.00  -0.01     0.15   0.28   0.25
    36   1     0.05   0.08   0.08     0.06   0.05  -0.02     0.15  -0.27   0.26
    37   1     0.05   0.04   0.08     0.03   0.15  -0.18     0.07   0.01  -0.34
    38   1     0.16  -0.07  -0.02    -0.10  -0.03   0.01     0.11  -0.04  -0.05
    39   1     0.13  -0.07  -0.08     0.01  -0.11  -0.13     0.00   0.02   0.10
    40   1    -0.01   0.20   0.09     0.05   0.14   0.10    -0.04  -0.05  -0.05
    41   1    -0.19   0.22   0.28     0.01  -0.10   0.05    -0.02   0.10   0.01
    42   1    -0.11  -0.29   0.29    -0.03  -0.17   0.19    -0.00   0.06  -0.07
    43   1     0.18  -0.03  -0.18     0.15  -0.03  -0.18    -0.07   0.01   0.09
    44   1    -0.02   0.01   0.08     0.24  -0.16   0.08    -0.17   0.10  -0.06
    45   1    -0.11  -0.06  -0.04    -0.21  -0.07   0.03     0.12   0.03  -0.03
    46   1    -0.03  -0.03   0.06     0.04   0.13   0.07    -0.02  -0.09  -0.04
    47   1    -0.12  -0.25   0.03     0.05  -0.02   0.03    -0.02  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --    815.4259               818.4872               832.8169
 Red. masses --      1.2205                 1.2175                 1.4886
 Frc consts  --      0.4781                 0.4805                 0.6083
 IR Inten    --     63.3923                49.5596                13.6892
 RamAct Fr= 1--      3.9741                 3.7848                 3.8319
  Dep-P Fr= 1--      0.7488                 0.5941                 0.2369
  Dep-U Fr= 1--      0.8563                 0.7454                 0.3830
 Alpha2 Fr= 1--      0.0001                 0.0110                 0.0471
 Beta2  Fr= 1--      0.5672                 0.4702                 0.2446
 AlphaG Fr= 1--      0.0019                -0.0377                -0.0085
 Gamma2 Fr= 1--     -2.7181                -1.1527                 1.4398
 Delta2 Fr= 1--     -0.8135                -0.1292                 0.4613
 Raman1 Fr= 1--      15.896                 15.139                 15.328
 ROA1   Fr= 1--    -286.971               -114.796                152.981
 CID1   Fr= 1--     -18.053                 -7.583                  9.981
 Raman2 Fr= 1--       6.806                  5.642                  2.936
 ROA2   Fr= 1--     -58.727                -26.632                 30.865
 CID2   Fr= 1--      -8.628                 -4.720                 10.514
 Raman3 Fr= 1--      13.613                 11.284                  5.871
 ROA3   Fr= 1--    -286.971               -114.796                152.981
 CID3   Fr= 1--     -21.081                -10.173                 26.056
 RC180  Fr= 1--       0.713                  0.491                 -0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.01   0.09   0.02
     2   6    -0.00   0.00   0.00     0.02   0.01   0.03    -0.04  -0.02  -0.04
     3   6     0.00   0.00   0.00    -0.02  -0.00  -0.00     0.05   0.02   0.06
     4   6    -0.00  -0.00  -0.00     0.01   0.03   0.01    -0.04  -0.09  -0.01
     5   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.04  -0.05  -0.03
     6   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.02   0.06   0.04
     7   6    -0.00  -0.00  -0.00    -0.05  -0.04  -0.04    -0.01  -0.02  -0.02
     8   6    -0.00   0.00  -0.00    -0.06  -0.05  -0.06    -0.03  -0.02  -0.03
     9   6    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
    10   6     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.01   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.01  -0.01
    12   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.01   0.00  -0.00
    14   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    15   6    -0.04   0.03  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    16   6    -0.06   0.05  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6    -0.01   0.00  -0.02    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.01
    20   6     0.01   0.01   0.03     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.01   0.01   0.02     0.42   0.34   0.44     0.24   0.20   0.26
    25   1     0.01   0.01   0.01     0.38   0.29   0.40     0.04   0.02   0.04
    26   1     0.02  -0.01  -0.01    -0.06   0.08  -0.01     0.19  -0.24   0.02
    27   1    -0.01   0.00  -0.02     0.07  -0.03   0.08    -0.23   0.11  -0.24
    28   1    -0.01  -0.01  -0.01     0.07   0.06   0.05    -0.13  -0.10  -0.12
    29   1     0.01   0.00  -0.01    -0.10  -0.03   0.05     0.28   0.03  -0.10
    30   1     0.01  -0.00  -0.01    -0.07   0.01   0.06     0.25  -0.08  -0.20
    31   1     0.00   0.01   0.01    -0.01  -0.05  -0.07     0.04   0.12   0.22
    32   1     0.01   0.01  -0.01    -0.03  -0.10   0.06     0.12   0.24  -0.17
    33   1     0.00  -0.01   0.01    -0.05   0.06  -0.12     0.07  -0.14   0.35
    34   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.02
    35   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    36   1    -0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.02   0.01  -0.03
    37   1     0.00   0.01   0.01     0.00   0.00  -0.01    -0.01  -0.02   0.02
    38   1     0.44  -0.38   0.52    -0.02   0.01  -0.02     0.00   0.01  -0.00
    39   1     0.32  -0.27   0.36    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    40   1     0.06   0.05   0.02     0.01   0.01  -0.00    -0.03  -0.03  -0.01
    41   1    -0.01  -0.10   0.02     0.00  -0.02   0.00     0.00   0.04  -0.01
    42   1     0.02  -0.03   0.04     0.00  -0.00   0.01    -0.00   0.02  -0.03
    43   1     0.06   0.00  -0.07     0.01   0.00  -0.01    -0.03   0.00   0.03
    44   1    -0.03   0.03  -0.02    -0.01   0.00  -0.00     0.02  -0.01   0.02
    45   1     0.08  -0.01  -0.03     0.01   0.00  -0.00    -0.04   0.00   0.01
    46   1    -0.00  -0.07  -0.07     0.00  -0.00  -0.01    -0.01   0.03   0.03
    47   1    -0.03   0.14  -0.00    -0.00   0.01  -0.00     0.01  -0.05  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    835.4440               864.3253               864.9845
 Red. masses --      1.4984                 2.3770                 2.3835
 Frc consts  --      0.6162                 1.0463                 1.0507
 IR Inten    --      3.6792                 0.2501                 3.0166
 RamAct Fr= 1--      1.9894                 3.4247                 0.9591
  Dep-P Fr= 1--      0.0714                 0.0514                 0.5976
  Dep-U Fr= 1--      0.1333                 0.0977                 0.7482
 Alpha2 Fr= 1--      0.0373                 0.0674                 0.0027
 Beta2  Fr= 1--      0.0442                 0.0558                 0.1196
 AlphaG Fr= 1--     -0.0458                 0.0191                 0.0060
 Gamma2 Fr= 1--     -0.3821                -1.7588                 2.2514
 Delta2 Fr= 1--     -0.1065                -1.1131                 1.3540
 Raman1 Fr= 1--       7.958                 13.699                  3.836
 ROA1   Fr= 1--     -40.094               -204.461                259.460
 CID1   Fr= 1--      -5.038                -14.925                 67.630
 Raman2 Fr= 1--       0.530                  0.669                  1.435
 ROA2   Fr= 1--      -8.319                -33.306                 43.200
 CID2   Fr= 1--     -15.684                -49.774                 30.102
 Raman3 Fr= 1--       1.061                  1.338                  2.870
 ROA3   Fr= 1--     -40.094               -204.461                259.460
 CID3   Fr= 1--     -37.796               -152.777                 90.396
 RC180  Fr= 1--      -0.733                 -0.805                  0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.07   0.03   0.02     0.10  -0.03  -0.03
     2   6     0.00   0.00   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.02
     3   6    -0.01  -0.00  -0.01    -0.01   0.02  -0.00     0.02  -0.02  -0.00
     4   6     0.00   0.01   0.00    -0.05  -0.01   0.06     0.07   0.02  -0.08
     5   6     0.01   0.01   0.00     0.06  -0.09  -0.05    -0.08   0.12   0.06
     6   6    -0.00  -0.01  -0.01     0.07   0.08  -0.04    -0.10  -0.11   0.06
     7   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.00
     8   6     0.00  -0.00   0.00     0.03   0.00  -0.01    -0.05   0.00   0.02
     9   6    -0.01  -0.00  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.02
    10   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    11   6     0.01  -0.00   0.00    -0.01   0.01   0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01   0.02    -0.01   0.00   0.02    -0.00   0.00   0.01
    13   6    -0.04   0.05  -0.04     0.01  -0.02  -0.02     0.00  -0.01  -0.01
    14   6     0.03  -0.05   0.05     0.01   0.02   0.00     0.01   0.01   0.00
    15   6    -0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    16   6    -0.03   0.02  -0.03    -0.04  -0.00   0.02    -0.03   0.00   0.02
    17   6     0.05   0.01   0.07     0.09   0.04  -0.05     0.06   0.03  -0.04
    18   6     0.06  -0.02   0.05    -0.04   0.04   0.15    -0.03   0.03   0.11
    19   6    -0.02   0.02  -0.07    -0.15  -0.05  -0.04    -0.10  -0.04  -0.03
    20   6    -0.03  -0.01  -0.09     0.09  -0.03  -0.07     0.06  -0.02  -0.05
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    23  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.05  -0.06  -0.09     0.04   0.06   0.12
    25   1     0.01   0.01   0.02     0.07   0.02   0.03    -0.06  -0.00  -0.03
    26   1    -0.02   0.03  -0.00    -0.11  -0.00   0.04     0.16  -0.01  -0.06
    27   1     0.03  -0.01   0.02    -0.22   0.03   0.04     0.29  -0.04  -0.06
    28   1     0.02   0.01   0.01     0.10   0.26   0.04    -0.16  -0.37  -0.07
    29   1    -0.04  -0.01   0.01    -0.03   0.02   0.05     0.06  -0.02  -0.08
    30   1    -0.03   0.01   0.02    -0.06  -0.05   0.01     0.08   0.07  -0.02
    31   1    -0.00  -0.01  -0.03    -0.00  -0.24  -0.09     0.00   0.33   0.13
    32   1    -0.01  -0.03   0.02    -0.09  -0.01   0.10     0.13   0.02  -0.14
    33   1    -0.01   0.02  -0.04    -0.15   0.00   0.14     0.21  -0.01  -0.19
    34   1    -0.02   0.02   0.04    -0.02   0.01   0.02     0.01  -0.02   0.01
    35   1    -0.02  -0.02  -0.02     0.01  -0.04   0.01    -0.01   0.01  -0.02
    36   1    -0.02   0.03  -0.02     0.01  -0.05   0.00    -0.01   0.01  -0.02
    37   1    -0.03  -0.03   0.01     0.03   0.04  -0.03    -0.00   0.01   0.02
    38   1     0.17  -0.17   0.20     0.01  -0.04   0.07     0.01  -0.04   0.07
    39   1     0.07  -0.03   0.07    -0.04  -0.01   0.01    -0.06   0.02  -0.04
    40   1    -0.23  -0.21  -0.07     0.16   0.07  -0.08     0.12   0.05  -0.06
    41   1     0.05   0.36  -0.07     0.23   0.07  -0.15     0.17   0.04  -0.11
    42   1    -0.04   0.13  -0.22     0.11   0.04   0.37     0.08   0.03   0.27
    43   1    -0.23  -0.03   0.22     0.11   0.00   0.01     0.08   0.01   0.01
    44   1     0.17  -0.11   0.14    -0.25  -0.05  -0.28    -0.18  -0.04  -0.21
    45   1    -0.31   0.01   0.10     0.05   0.02  -0.08     0.03   0.02  -0.05
    46   1    -0.09   0.20   0.24     0.16  -0.02  -0.07     0.12  -0.01  -0.05
    47   1     0.13  -0.36  -0.02     0.26  -0.08  -0.12     0.19  -0.07  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    875.6397               878.1239               910.0168
 Red. masses --      1.2784                 1.2456                 2.2648
 Frc consts  --      0.5775                 0.5659                 1.1051
 IR Inten    --      1.5024                 0.2965                 2.2784
 RamAct Fr= 1--      0.8235                 1.5475                 0.7305
  Dep-P Fr= 1--      0.4590                 0.4382                 0.7498
  Dep-U Fr= 1--      0.6292                 0.6094                 0.8570
 Alpha2 Fr= 1--      0.0049                 0.0099                 0.0000
 Beta2  Fr= 1--      0.0864                 0.1572                 0.1043
 AlphaG Fr= 1--      0.0090                 0.0394                -0.0009
 Gamma2 Fr= 1--     -0.4905                 2.0272                -0.7770
 Delta2 Fr= 1--      1.2517                 0.2335                 0.0377
 Raman1 Fr= 1--       3.294                  6.190                  2.922
 ROA1   Fr= 1--      -7.037                202.079                -73.382
 CID1   Fr= 1--      -2.136                 32.645                -25.114
 Raman2 Fr= 1--       1.036                  1.886                  1.252
 ROA2   Fr= 1--     -21.787                 46.784                -18.948
 CID2   Fr= 1--     -21.024                 24.805                -15.133
 Raman3 Fr= 1--       2.073                  3.772                  2.504
 ROA3   Fr= 1--      -7.037                202.079                -73.382
 CID3   Fr= 1--      -3.395                 53.572                -29.304
 RC180  Fr= 1--       0.258                  0.219                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00     0.02   0.01   0.01    -0.02  -0.08  -0.02
     2   6     0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.05  -0.05   0.01
     3   6     0.01   0.01   0.00     0.01   0.00   0.01     0.05   0.02  -0.01
     4   6     0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.05  -0.04  -0.02
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.01    -0.02   0.01   0.02
     6   6    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.03   0.03  -0.01
     7   6    -0.04  -0.01  -0.04    -0.06  -0.04  -0.06     0.03   0.10  -0.07
     8   6     0.01   0.03   0.03     0.04   0.04   0.04    -0.08   0.01   0.02
     9   6     0.02  -0.00   0.02    -0.00   0.00   0.01     0.06  -0.01   0.09
    10   6    -0.01  -0.03  -0.00    -0.01  -0.01  -0.01    -0.08  -0.11  -0.02
    11   6    -0.02   0.03  -0.01     0.00   0.01   0.00    -0.07   0.11  -0.03
    12   6     0.01  -0.00   0.03     0.01   0.00  -0.00     0.08   0.00   0.07
    13   6     0.01   0.02  -0.01    -0.00  -0.01  -0.00     0.02   0.02  -0.01
    14   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01  -0.02  -0.01
    15   6    -0.05   0.03  -0.08     0.03  -0.02   0.04     0.01  -0.05  -0.01
    16   6     0.03  -0.04   0.04    -0.02   0.02  -0.02    -0.05  -0.00   0.00
    17   6     0.02   0.00   0.02    -0.02  -0.00  -0.01    -0.01   0.03  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.02  -0.00
    19   6    -0.01   0.00  -0.01     0.02   0.00   0.01     0.01  -0.01   0.00
    20   6     0.01  -0.00   0.01    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    21  40    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.19  -0.14  -0.18    -0.30  -0.25  -0.31     0.03   0.03   0.15
    25   1     0.24   0.19   0.23     0.39   0.31   0.41     0.02  -0.01  -0.22
    26   1     0.03  -0.04   0.01     0.05  -0.06   0.01    -0.08   0.20  -0.05
    27   1    -0.01   0.01  -0.03    -0.03   0.01  -0.05     0.03  -0.10   0.27
    28   1    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01     0.06   0.01   0.00
    29   1     0.03  -0.02  -0.01     0.03  -0.04  -0.00    -0.08   0.16  -0.00
    30   1     0.04  -0.02  -0.03     0.06  -0.05  -0.04     0.04   0.13  -0.06
    31   1     0.01   0.06   0.04     0.01   0.09   0.07    -0.05  -0.07   0.07
    32   1     0.03   0.00  -0.03     0.04  -0.00  -0.03    -0.01   0.20  -0.08
    33   1     0.00  -0.01   0.01    -0.01  -0.01   0.02     0.06  -0.08   0.20
    34   1     0.03  -0.06  -0.04     0.03  -0.04  -0.03     0.13  -0.25  -0.26
    35   1     0.04   0.02   0.04     0.01   0.04   0.01     0.17   0.13   0.19
    36   1     0.04  -0.04   0.04     0.01   0.02   0.02     0.17  -0.10   0.19
    37   1     0.04   0.07  -0.06    -0.00   0.00  -0.01     0.12   0.23  -0.27
    38   1    -0.27   0.25  -0.29     0.15  -0.16   0.17     0.02  -0.10   0.06
    39   1     0.39  -0.35   0.43    -0.24   0.21  -0.28    -0.02   0.05  -0.15
    40   1    -0.04  -0.05  -0.03     0.02   0.03   0.03    -0.00   0.06   0.06
    41   1     0.00   0.09  -0.01    -0.01  -0.05   0.01     0.01  -0.03   0.01
    42   1     0.01   0.02   0.00    -0.02  -0.02  -0.01    -0.05  -0.02  -0.08
    43   1    -0.04  -0.03  -0.00     0.02   0.02  -0.00    -0.01   0.03   0.06
    44   1     0.01  -0.01   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.02
    45   1    -0.04  -0.02  -0.02     0.02   0.01   0.02     0.02   0.04   0.05
    46   1    -0.04  -0.04  -0.02     0.01   0.03   0.02    -0.03   0.05   0.05
    47   1     0.02   0.05  -0.02    -0.03  -0.03   0.02    -0.03  -0.05   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    920.5127               923.6458               928.5531
 Red. masses --      2.1797                 2.1556                 1.6926
 Frc consts  --      1.0882                 1.0835                 0.8598
 IR Inten    --      3.6735                 0.8843                 1.6335
 RamAct Fr= 1--      0.4639                 1.2210                 0.3298
  Dep-P Fr= 1--      0.4963                 0.3262                 0.3146
  Dep-U Fr= 1--      0.6634                 0.4920                 0.4786
 Alpha2 Fr= 1--      0.0023                 0.0116                 0.0032
 Beta2  Fr= 1--      0.0513                 0.1001                 0.0263
 AlphaG Fr= 1--      0.0675                 0.0905                 0.0060
 Gamma2 Fr= 1--     -0.0682                -0.0282                -0.3237
 Delta2 Fr= 1--      0.3351                -0.4095                -0.0100
 Raman1 Fr= 1--       1.856                  4.884                  1.319
 ROA1   Fr= 1--       4.182                -15.812                -31.394
 CID1   Fr= 1--       2.254                 -3.238                -23.799
 Raman2 Fr= 1--       0.616                  1.201                  0.316
 ROA2   Fr= 1--      -4.317                  2.599                 -7.688
 CID2   Fr= 1--      -7.013                  2.163                -24.356
 Raman3 Fr= 1--       1.231                  2.403                  0.631
 ROA3   Fr= 1--       4.182                -15.812                -31.394
 CID3   Fr= 1--       3.397                 -6.581                -49.727
 RC180  Fr= 1--       0.327                 -0.016                 -0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.10   0.04     0.00   0.03   0.01    -0.01  -0.02  -0.02
     2   6    -0.06   0.04  -0.05    -0.01   0.01  -0.02     0.00   0.00   0.02
     3   6    -0.06  -0.00  -0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     4   6     0.06   0.07   0.02     0.02   0.02   0.01    -0.01  -0.02  -0.01
     5   6     0.04  -0.04  -0.03     0.01  -0.01  -0.01    -0.00   0.00   0.01
     6   6    -0.05  -0.04   0.03    -0.01  -0.01   0.01     0.01   0.00   0.00
     7   6    -0.01  -0.06   0.09    -0.00  -0.01   0.02    -0.00  -0.01  -0.01
     8   6     0.03  -0.02  -0.04    -0.00  -0.00  -0.01     0.01   0.00  -0.00
     9   6     0.07   0.02   0.01     0.03   0.00   0.01    -0.03   0.00  -0.02
    10   6    -0.04  -0.08  -0.02    -0.01  -0.03   0.00     0.01   0.04   0.00
    11   6    -0.04   0.07  -0.01    -0.02   0.05  -0.02     0.03  -0.05   0.02
    12   6     0.04   0.01   0.06     0.04  -0.02  -0.02    -0.03   0.02  -0.01
    13   6     0.03   0.04  -0.00    -0.02  -0.10   0.01     0.05   0.01   0.03
    14   6     0.03  -0.01  -0.02    -0.03  -0.04   0.05     0.04  -0.03   0.02
    15   6     0.02  -0.07  -0.05    -0.06   0.13   0.09    -0.01  -0.02  -0.05
    16   6    -0.06  -0.01   0.02     0.08   0.01  -0.04    -0.02  -0.00   0.04
    17   6     0.02   0.05   0.01    -0.09  -0.03  -0.08    -0.01   0.09  -0.06
    18   6     0.02  -0.04  -0.02    -0.03   0.02   0.06     0.03  -0.09  -0.00
    19   6    -0.02  -0.04   0.01     0.09   0.04  -0.00    -0.02  -0.09   0.03
    20   6    -0.03   0.02   0.02    -0.01   0.00  -0.11    -0.06   0.08  -0.03
    21  40    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.05   0.20  -0.07    -0.00   0.06  -0.02    -0.01  -0.06  -0.02
    25   1    -0.13  -0.10   0.04    -0.04  -0.04  -0.02     0.02   0.04   0.05
    26   1     0.14  -0.26   0.06     0.04  -0.08   0.02    -0.04   0.07  -0.02
    27   1    -0.08   0.12  -0.31    -0.03   0.03  -0.09     0.03  -0.02   0.06
    28   1    -0.17   0.00  -0.04    -0.05   0.00  -0.01     0.03  -0.03   0.00
    29   1     0.15  -0.17  -0.02     0.04  -0.05  -0.01    -0.03   0.07  -0.01
    30   1    -0.08  -0.14   0.09    -0.02  -0.04   0.02     0.01   0.06  -0.02
    31   1     0.07   0.04  -0.15     0.02   0.01  -0.04    -0.02  -0.04   0.02
    32   1    -0.03  -0.25   0.12    -0.01  -0.07   0.03     0.01   0.07  -0.04
    33   1    -0.12   0.13  -0.24    -0.04   0.04  -0.07     0.04  -0.03   0.06
    34   1     0.08  -0.16  -0.18     0.05  -0.08  -0.03    -0.04   0.08   0.04
    35   1     0.13   0.04   0.13     0.06   0.01   0.07    -0.07  -0.01  -0.08
    36   1     0.10  -0.08   0.12     0.07  -0.03   0.06    -0.06   0.04  -0.06
    37   1     0.09   0.15  -0.15     0.07   0.11  -0.10    -0.05  -0.10   0.12
    38   1     0.00   0.00   0.09    -0.01  -0.15  -0.20    -0.05   0.12   0.02
    39   1     0.02   0.02  -0.17    -0.03  -0.02   0.28     0.13  -0.08   0.03
    40   1    -0.02   0.05   0.04     0.19   0.21   0.12     0.13   0.26   0.13
    41   1    -0.01   0.03   0.03     0.09  -0.38  -0.05     0.01  -0.21   0.05
    42   1    -0.04   0.02  -0.16    -0.10  -0.13   0.12    -0.12  -0.00  -0.30
    43   1    -0.04   0.04   0.11     0.18   0.11   0.02     0.06   0.22   0.31
    44   1    -0.11   0.03  -0.08     0.21  -0.12  -0.01    -0.20  -0.00  -0.25
    45   1     0.09   0.06   0.04    -0.10   0.10   0.18     0.20   0.25   0.24
    46   1    -0.02   0.03   0.02    -0.00   0.22   0.21    -0.02   0.23   0.18
    47   1    -0.03   0.01   0.02     0.04  -0.34   0.01     0.03  -0.20   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --    930.0611               953.2664               969.6250
 Red. masses --      1.9062                 2.3452                 2.2026
 Frc consts  --      0.9715                 1.2556                 1.2201
 IR Inten    --      0.8286                 1.5041                 1.3921
 RamAct Fr= 1--      0.5132                 2.5092                 4.0955
  Dep-P Fr= 1--      0.0261                 0.2692                 0.7023
  Dep-U Fr= 1--      0.0509                 0.4242                 0.8251
 Alpha2 Fr= 1--      0.0107                 0.0282                 0.0034
 Beta2  Fr= 1--      0.0044                 0.1774                 0.5632
 AlphaG Fr= 1--      0.0356                -0.0571                -0.0161
 Gamma2 Fr= 1--      0.1801                 2.0708                 4.0362
 Delta2 Fr= 1--      0.0080                -0.6046                 1.2810
 Raman1 Fr= 1--       2.053                 10.037                 16.382
 ROA1   Fr= 1--      17.549                179.450                428.467
 CID1   Fr= 1--       8.548                 17.879                 26.155
 Raman2 Fr= 1--       0.052                  2.129                  6.758
 ROA2   Fr= 1--       4.260                 54.536                 86.620
 CID2   Fr= 1--      81.600                 25.617                 12.817
 Raman3 Fr= 1--       0.104                  4.258                 13.517
 ROA3   Fr= 1--      17.549                179.450                428.467
 CID3   Fr= 1--     168.097                 42.146                 31.699
 RC180  Fr= 1--      -0.898                 -0.152                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.07    -0.03   0.03  -0.01    -0.12   0.10  -0.00
     2   6     0.01  -0.06  -0.02     0.04  -0.02  -0.01    -0.01  -0.06   0.04
     3   6     0.00  -0.03  -0.04     0.01   0.02  -0.03     0.05  -0.06  -0.01
     4   6     0.01  -0.00   0.11     0.01   0.03  -0.04     0.06   0.10  -0.10
     5   6    -0.09   0.05  -0.06     0.03  -0.03   0.02    -0.08  -0.04   0.11
     6   6    -0.01   0.04  -0.11    -0.01  -0.02   0.04     0.13  -0.05  -0.02
     7   6     0.03   0.08  -0.06    -0.03   0.03  -0.01     0.01   0.04  -0.04
     8   6    -0.05  -0.00   0.04    -0.06  -0.00   0.08    -0.01   0.03  -0.01
     9   6    -0.01  -0.02   0.02     0.04  -0.07  -0.01    -0.01   0.00   0.02
    10   6     0.01   0.02   0.02     0.13   0.06   0.10    -0.01  -0.00  -0.02
    11   6    -0.01  -0.00  -0.01    -0.13   0.04  -0.10     0.01  -0.00   0.02
    12   6    -0.01  -0.00  -0.00    -0.05  -0.07   0.01     0.01   0.01  -0.00
    13   6     0.00   0.00   0.00    -0.04  -0.02   0.02     0.01  -0.00  -0.01
    14   6     0.00   0.00   0.00    -0.01   0.03   0.02    -0.01  -0.01  -0.00
    15   6     0.00  -0.00  -0.01     0.03   0.02   0.00    -0.00   0.00   0.00
    16   6     0.00   0.00  -0.00     0.07  -0.01  -0.08    -0.00   0.00   0.01
    17   6     0.00   0.01  -0.01     0.02   0.03   0.01     0.01   0.01  -0.00
    18   6     0.01  -0.01  -0.00     0.03  -0.03  -0.03    -0.02  -0.01   0.01
    19   6    -0.01  -0.01   0.00    -0.03  -0.04   0.00     0.02  -0.01  -0.01
    20   6    -0.01   0.01   0.00    -0.01   0.04   0.03    -0.01   0.01   0.01
    21  40     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.03  -0.08   0.15    -0.11   0.00   0.02     0.02  -0.06   0.04
    25   1     0.03  -0.03  -0.20     0.12  -0.00  -0.03    -0.11   0.09   0.01
    26   1     0.11  -0.22   0.10    -0.01  -0.01  -0.01    -0.19  -0.06   0.06
    27   1    -0.10  -0.01  -0.08    -0.07   0.03  -0.02    -0.39   0.11  -0.05
    28   1     0.17   0.31   0.11    -0.07  -0.11  -0.03     0.36  -0.23   0.08
    29   1    -0.09  -0.39   0.14     0.06   0.06  -0.04     0.07  -0.18   0.08
    30   1     0.11  -0.38   0.02    -0.04   0.05   0.02     0.01  -0.16   0.11
    31   1     0.03   0.34   0.20    -0.00  -0.09  -0.06    -0.14  -0.19   0.35
    32   1    -0.02  -0.23   0.16    -0.01   0.01  -0.02     0.11  -0.07  -0.13
    33   1    -0.09   0.04  -0.13    -0.03   0.04  -0.03     0.13   0.10  -0.33
    34   1    -0.03   0.05   0.06    -0.05   0.16   0.45    -0.02   0.01  -0.05
    35   1    -0.02  -0.03  -0.01     0.04  -0.35   0.12    -0.01   0.02  -0.02
    36   1    -0.02  -0.03  -0.03    -0.05  -0.34  -0.12     0.01   0.01   0.03
    37   1    -0.02  -0.01  -0.04     0.03   0.12  -0.44     0.02   0.01   0.03
    38   1     0.01   0.03   0.01     0.12   0.02  -0.01    -0.01  -0.03  -0.01
    39   1     0.00  -0.01   0.01    -0.12  -0.00   0.01     0.02   0.01  -0.01
    40   1     0.01   0.03   0.01    -0.00  -0.00  -0.02     0.02   0.00  -0.02
    41   1     0.00  -0.01   0.01     0.01   0.07  -0.00     0.03   0.03  -0.02
    42   1    -0.01   0.01  -0.05    -0.01   0.03  -0.13    -0.04  -0.05   0.02
    43   1     0.00   0.03   0.04    -0.03   0.02   0.07    -0.01  -0.02  -0.01
    44   1    -0.04   0.00  -0.03    -0.10   0.03  -0.06     0.04  -0.05  -0.03
    45   1     0.03   0.03   0.03     0.08   0.03   0.00    -0.01  -0.03  -0.02
    46   1    -0.00   0.02   0.02     0.01   0.00  -0.02    -0.03   0.00   0.01
    47   1     0.00  -0.01   0.01     0.02   0.08   0.00    -0.04   0.03   0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --    970.3153              1002.1992              1028.4821
 Red. masses --      2.2225                 2.3624                 2.9815
 Frc consts  --      1.2329                 1.3980                 1.8581
 IR Inten    --      1.0996                 1.0246                 5.3136
 RamAct Fr= 1--      3.4122                 1.3791                 0.8205
  Dep-P Fr= 1--      0.7201                 0.4051                 0.7492
  Dep-U Fr= 1--      0.8373                 0.5766                 0.8566
 Alpha2 Fr= 1--      0.0018                 0.0100                 0.0000
 Beta2  Fr= 1--      0.4761                 0.1325                 0.1171
 AlphaG Fr= 1--      0.0012                 0.0028                -0.0009
 Gamma2 Fr= 1--     -1.1137                -1.0587                 0.1785
 Delta2 Fr= 1--     -1.1508                -0.6641                -0.1226
 Raman1 Fr= 1--      13.649                  5.516                  3.282
 ROA1   Fr= 1--    -143.740               -122.884                 13.211
 CID1   Fr= 1--     -10.531                -22.276                  4.025
 Raman2 Fr= 1--       5.714                  1.590                  1.406
 ROA2   Fr= 1--     -17.522                -20.096                  5.265
 CID2   Fr= 1--      -3.067                -12.635                  3.745
 Raman3 Fr= 1--      11.427                  3.181                  2.811
 ROA3   Fr= 1--    -143.740               -122.884                 13.211
 CID3   Fr= 1--     -12.579                -38.632                  4.699
 RC180  Fr= 1--       0.675                  0.153                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00     0.01   0.01  -0.01     0.01   0.03  -0.01
     2   6    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.12  -0.08  -0.03
     3   6    -0.01   0.01   0.00    -0.01   0.01  -0.00     0.01   0.01  -0.03
     4   6    -0.01  -0.02   0.02     0.00   0.00   0.00    -0.00   0.07  -0.02
     5   6     0.01   0.01  -0.02     0.01  -0.00  -0.01     0.03  -0.06  -0.00
     6   6    -0.02   0.01   0.00    -0.01  -0.00   0.01    -0.06   0.02   0.05
     7   6    -0.00  -0.01   0.01    -0.00  -0.02   0.01    -0.02   0.01   0.01
     8   6     0.00  -0.01  -0.00    -0.05  -0.02   0.07    -0.10  -0.01   0.10
     9   6    -0.00   0.00  -0.00    -0.00   0.01  -0.04     0.05  -0.09  -0.05
    10   6    -0.00  -0.00  -0.01     0.03   0.04  -0.22    -0.01   0.10   0.01
    11   6     0.01   0.00   0.01    -0.04   0.04   0.22    -0.02  -0.10   0.00
    12   6     0.01  -0.00  -0.02    -0.00   0.01   0.04     0.06   0.09  -0.05
    13   6    -0.00  -0.06  -0.05     0.00  -0.00  -0.00     0.12   0.09  -0.04
    14   6    -0.06  -0.05  -0.00     0.01   0.01   0.00     0.02  -0.02  -0.02
    15   6    -0.01   0.04   0.04     0.00  -0.02  -0.01    -0.02  -0.01   0.01
    16   6     0.01   0.03   0.01     0.05  -0.02  -0.07    -0.11   0.01   0.10
    17   6     0.12   0.10   0.00    -0.00   0.01   0.01    -0.00  -0.01  -0.03
    18   6    -0.10  -0.07   0.05     0.01  -0.00  -0.01    -0.07  -0.00   0.03
    19   6     0.10  -0.07  -0.09    -0.01  -0.00   0.01     0.05   0.05   0.02
    20   6    -0.07   0.10   0.11    -0.00   0.00  -0.00    -0.01  -0.06  -0.04
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.01   0.00   0.00    -0.02  -0.12   0.14    -0.13   0.09   0.06
    25   1     0.01  -0.01   0.00     0.15  -0.08  -0.05     0.27  -0.12  -0.13
    26   1     0.03   0.01  -0.01     0.02  -0.00  -0.01     0.08  -0.05  -0.02
    27   1     0.06  -0.02   0.01     0.01   0.01  -0.01    -0.13   0.03   0.01
    28   1    -0.05   0.03  -0.01    -0.03  -0.02  -0.01    -0.19  -0.03  -0.05
    29   1    -0.01   0.02  -0.01     0.02   0.02  -0.01     0.07   0.08  -0.05
    30   1     0.00   0.02  -0.02    -0.00   0.01  -0.01    -0.06  -0.03   0.03
    31   1     0.02   0.03  -0.05     0.01   0.01  -0.03     0.02  -0.08  -0.08
    32   1    -0.01   0.01   0.02     0.00  -0.00   0.00    -0.05  -0.03   0.02
    33   1    -0.02  -0.02   0.05    -0.02   0.01   0.01    -0.13   0.10  -0.03
    34   1    -0.02   0.01   0.00    -0.31   0.33  -0.18    -0.18   0.27  -0.17
    35   1    -0.01  -0.00  -0.02    -0.06  -0.27  -0.24     0.02  -0.03   0.09
    36   1     0.00   0.01   0.00     0.05  -0.27   0.24     0.01   0.03   0.07
    37   1     0.01   0.00   0.03     0.31   0.33   0.17    -0.20  -0.29  -0.18
    38   1    -0.01  -0.06  -0.03     0.02  -0.13  -0.15    -0.14  -0.09   0.06
    39   1     0.09   0.10  -0.03    -0.14  -0.07   0.04     0.29   0.11  -0.11
    40   1     0.13   0.02  -0.17     0.00  -0.00  -0.01     0.02   0.04   0.04
    41   1     0.25   0.28  -0.16    -0.03   0.01   0.02    -0.06  -0.07   0.03
    42   1    -0.25  -0.31   0.05    -0.00  -0.00  -0.02    -0.05  -0.09   0.14
    43   1    -0.06  -0.16  -0.06     0.00   0.01   0.01    -0.02  -0.08  -0.09
    44   1     0.22  -0.32  -0.25    -0.03   0.03   0.01     0.13  -0.02   0.08
    45   1    -0.02  -0.17  -0.13     0.02   0.01   0.01    -0.09  -0.00   0.04
    46   1    -0.19   0.01   0.02     0.01   0.00  -0.00    -0.03  -0.02   0.03
    47   1    -0.26   0.24   0.13     0.00  -0.00  -0.00    -0.10  -0.12   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1058.0861              1059.1639              1065.5602
 Red. masses --      1.3748                 1.3333                 2.4934
 Frc consts  --      0.9068                 0.8812                 1.6680
 IR Inten    --      3.4526                 7.6570                 1.7309
 RamAct Fr= 1--      3.5313                 2.3045                 0.9943
  Dep-P Fr= 1--      0.0998                 0.3581                 0.7057
  Dep-U Fr= 1--      0.1814                 0.5274                 0.8275
 Alpha2 Fr= 1--      0.0619                 0.0197                 0.0008
 Beta2  Fr= 1--      0.1068                 0.2026                 0.1371
 AlphaG Fr= 1--     -0.1114                -0.0511                 0.0261
 Gamma2 Fr= 1--      2.0326                 2.2467                 0.3506
 Delta2 Fr= 1--      0.7601                 0.5167                -0.9056
 Raman1 Fr= 1--      14.125                  9.218                  3.977
 ROA1   Fr= 1--     219.454                232.214                  4.676
 CID1   Fr= 1--      15.536                 25.191                  1.176
 Raman2 Fr= 1--       1.281                  2.431                  1.646
 ROA2   Fr= 1--      42.702                 49.787                 15.659
 CID2   Fr= 1--      33.324                 20.482                  9.516
 Raman3 Fr= 1--       2.563                  4.862                  3.291
 ROA3   Fr= 1--     219.454                232.214                  4.676
 CID3   Fr= 1--      85.628                 47.765                  1.421
 RC180  Fr= 1--      -0.637                  0.055                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.02  -0.01   0.02     0.05   0.01  -0.02
     2   6     0.04  -0.03  -0.01    -0.02   0.02  -0.00     0.09  -0.07  -0.01
     3   6     0.01  -0.01  -0.01    -0.01   0.03  -0.00     0.02  -0.03  -0.02
     4   6     0.00   0.02  -0.02     0.02  -0.04  -0.00     0.01   0.08  -0.04
     5   6     0.00  -0.04   0.01    -0.02   0.03   0.02     0.00  -0.10   0.02
     6   6    -0.02   0.03   0.01     0.03  -0.01  -0.03    -0.08   0.08   0.04
     7   6     0.01  -0.01   0.01     0.04  -0.09   0.02    -0.01   0.03  -0.00
     8   6    -0.03   0.02   0.02    -0.05   0.06   0.02    -0.03  -0.00   0.02
     9   6     0.01  -0.02   0.00     0.00  -0.00  -0.01     0.02  -0.03   0.01
    10   6    -0.04   0.01  -0.00    -0.01   0.00   0.00    -0.08   0.03  -0.01
    11   6     0.04   0.01   0.00     0.01   0.00   0.00     0.08   0.03   0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.01  -0.01    -0.02  -0.03  -0.02
    13   6    -0.01  -0.00   0.01    -0.02  -0.02   0.00    -0.10  -0.08   0.02
    14   6     0.01   0.02   0.01    -0.01  -0.01   0.00    -0.04  -0.03   0.01
    15   6    -0.04  -0.08  -0.02     0.01   0.02   0.00     0.03   0.06   0.01
    16   6     0.07   0.06  -0.02    -0.00  -0.01  -0.00     0.02  -0.03  -0.02
    17   6     0.00  -0.01  -0.02    -0.01  -0.00   0.01    -0.04  -0.02   0.06
    18   6     0.00   0.00   0.02     0.02   0.01  -0.01     0.11   0.05  -0.01
    19   6     0.02  -0.00  -0.03    -0.01  -0.02  -0.00    -0.05  -0.08  -0.05
    20   6    -0.03  -0.01   0.01     0.01   0.02   0.01     0.01   0.09   0.04
    21  40    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.06   0.15  -0.05    -0.19   0.58  -0.27    -0.01  -0.04   0.06
    25   1     0.13  -0.08  -0.06     0.50  -0.33  -0.23    -0.05   0.04   0.01
    26   1     0.05  -0.01  -0.01    -0.10  -0.01   0.06     0.18  -0.02  -0.06
    27   1    -0.03   0.00   0.01    -0.04  -0.01   0.02    -0.02   0.01   0.01
    28   1    -0.07   0.04  -0.01     0.13  -0.02   0.04    -0.24   0.13  -0.05
    29   1    -0.01   0.05  -0.01    -0.03  -0.06   0.03    -0.00   0.16  -0.05
    30   1    -0.03  -0.05   0.04     0.01   0.00   0.01    -0.06  -0.14   0.08
    31   1    -0.01  -0.07   0.02    -0.01   0.05   0.03    -0.03  -0.19   0.05
    32   1    -0.01  -0.00  -0.01     0.03   0.02  -0.02    -0.02  -0.04  -0.02
    33   1    -0.02   0.03  -0.03     0.10  -0.06  -0.02    -0.10   0.10  -0.07
    34   1     0.02  -0.03  -0.07     0.02  -0.02  -0.00     0.03  -0.05  -0.14
    35   1    -0.02   0.13  -0.01    -0.01   0.04  -0.01    -0.05   0.26  -0.04
    36   1     0.03   0.13   0.02     0.01   0.04   0.00     0.05   0.24   0.03
    37   1    -0.03  -0.04   0.06    -0.00  -0.01   0.03    -0.02  -0.03   0.16
    38   1     0.21   0.56   0.27    -0.04  -0.11  -0.07    -0.07  -0.26  -0.18
    39   1    -0.50  -0.29   0.19     0.10   0.06  -0.04     0.24   0.15  -0.07
    40   1     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.09  -0.06   0.03
    41   1     0.08  -0.03  -0.06    -0.02   0.01   0.02    -0.06   0.02   0.06
    42   1    -0.01  -0.01   0.02     0.03   0.04  -0.02     0.17   0.20  -0.06
    43   1     0.00  -0.00   0.01     0.02   0.03   0.02     0.11   0.16   0.10
    44   1     0.06  -0.05  -0.01    -0.03  -0.00  -0.03    -0.11  -0.06  -0.19
    45   1    -0.04  -0.04  -0.03     0.03  -0.00  -0.02     0.11  -0.05  -0.11
    46   1    -0.08  -0.01   0.03     0.02   0.01  -0.01     0.03   0.04  -0.03
    47   1    -0.04   0.01   0.01     0.03   0.03  -0.00     0.09   0.12  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1079.7081              1085.8859              1103.9445
 Red. masses --      2.0125                 2.0479                 1.8056
 Frc consts  --      1.3823                 1.4228                 1.2965
 IR Inten    --      1.0188                 0.6200                 0.6112
 RamAct Fr= 1--      0.9646                 3.0486                 0.9595
  Dep-P Fr= 1--      0.6892                 0.6231                 0.4973
  Dep-U Fr= 1--      0.8160                 0.7678                 0.6642
 Alpha2 Fr= 1--      0.0010                 0.0071                 0.0048
 Beta2  Fr= 1--      0.1312                 0.3901                 0.1062
 AlphaG Fr= 1--      0.0032                -0.0708                -0.0324
 Gamma2 Fr= 1--      1.9572                -3.5188                 0.2441
 Delta2 Fr= 1--      1.4116                -0.5963                 0.1342
 Raman1 Fr= 1--       3.858                 12.194                  3.838
 ROA1   Fr= 1--     233.063               -356.885                 27.725
 CID1   Fr= 1--      60.407                -29.266                  7.224
 Raman2 Fr= 1--       1.574                  4.681                  1.275
 ROA2   Fr= 1--      35.680                -79.680                  4.785
 CID2   Fr= 1--      22.667                -17.020                  3.754
 Raman3 Fr= 1--       3.148                  9.363                  2.549
 ROA3   Fr= 1--     233.063               -356.885                 27.725
 CID3   Fr= 1--      74.030                -38.117                 10.876
 RC180  Fr= 1--       0.632                  0.536                  0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.03   0.02     0.06  -0.03   0.04     0.02   0.02   0.02
     2   6    -0.02   0.02  -0.01    -0.07   0.05  -0.01    -0.01  -0.01  -0.01
     3   6     0.01  -0.00   0.00     0.01   0.02   0.01     0.01   0.01   0.02
     4   6     0.03   0.01  -0.07     0.03  -0.03  -0.07    -0.02  -0.01  -0.02
     5   6    -0.03  -0.09   0.07    -0.03  -0.05   0.08     0.02   0.01   0.02
     6   6    -0.05   0.10  -0.03    -0.03   0.07  -0.06    -0.01  -0.01  -0.03
     7   6     0.01  -0.02   0.01    -0.00  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.02  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.02   0.01   0.01    -0.02   0.02  -0.00     0.00  -0.00  -0.01
    10   6     0.00  -0.01  -0.00     0.06  -0.02   0.00     0.01   0.00  -0.01
    11   6    -0.00   0.01   0.00    -0.06  -0.02  -0.00    -0.00  -0.00   0.00
    12   6    -0.02  -0.01   0.01     0.02   0.03   0.01     0.01  -0.00  -0.02
    13   6    -0.01  -0.02  -0.01     0.06   0.08   0.00     0.04  -0.05   0.04
    14   6     0.00   0.00  -0.01     0.02   0.01   0.00    -0.05   0.02  -0.05
    15   6     0.00   0.02   0.01     0.00  -0.02  -0.02     0.00  -0.01   0.01
    16   6    -0.00  -0.01  -0.00    -0.02  -0.00   0.01    -0.00   0.01   0.01
    17   6     0.06   0.06  -0.01    -0.04  -0.06  -0.00    -0.06   0.07  -0.07
    18   6    -0.07  -0.09  -0.05     0.03   0.08   0.06     0.07  -0.07   0.07
    19   6    -0.02   0.07   0.09     0.04  -0.05  -0.08    -0.04   0.07  -0.09
    20   6     0.06  -0.04  -0.03    -0.08   0.00   0.00     0.06  -0.05   0.08
    21  40    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1    -0.02   0.10  -0.05     0.00   0.01  -0.02     0.01  -0.04   0.02
    25   1    -0.01  -0.01   0.03    -0.05   0.02   0.06     0.00   0.01   0.01
    26   1     0.09  -0.04   0.02     0.00  -0.06   0.07    -0.05  -0.07   0.07
    27   1     0.17  -0.02  -0.05     0.21  -0.02  -0.10     0.04   0.02  -0.09
    28   1    -0.11   0.31  -0.00    -0.01   0.29   0.03     0.05   0.02   0.03
    29   1    -0.18   0.18   0.00    -0.21   0.12   0.03    -0.08  -0.02   0.02
    30   1    -0.08  -0.19   0.14    -0.07  -0.12   0.13    -0.05   0.03   0.06
    31   1    -0.10  -0.27   0.18    -0.10  -0.22   0.15     0.00  -0.03  -0.06
    32   1     0.07   0.02  -0.10     0.07   0.06  -0.11    -0.06   0.08   0.01
    33   1     0.13  -0.02  -0.11     0.20  -0.07  -0.08     0.07  -0.04   0.02
    34   1     0.03  -0.05   0.07    -0.02   0.03   0.09    -0.03   0.04  -0.03
    35   1    -0.03   0.02  -0.05     0.03  -0.19   0.02     0.02  -0.04   0.02
    36   1    -0.03  -0.04  -0.05    -0.03  -0.18  -0.01     0.03   0.02   0.04
    37   1     0.04   0.06   0.05     0.01   0.02  -0.11     0.00   0.00  -0.01
    38   1    -0.02  -0.08  -0.04    -0.01   0.01   0.02    -0.01  -0.02  -0.00
    39   1    -0.01   0.01   0.02     0.05   0.00  -0.05     0.08   0.06  -0.08
    40   1     0.10   0.04  -0.10    -0.05  -0.03   0.07    -0.17   0.19   0.33
    41   1     0.10   0.10  -0.06    -0.13  -0.10   0.07     0.19  -0.21  -0.12
    42   1    -0.22  -0.23  -0.13     0.19   0.17   0.19     0.02   0.15  -0.21
    43   1    -0.16  -0.16  -0.07     0.14   0.11   0.02    -0.18  -0.04   0.25
    44   1    -0.06   0.21   0.25     0.10  -0.20  -0.21     0.17  -0.11   0.08
    45   1    -0.03   0.15   0.19     0.02  -0.15  -0.16    -0.30   0.00   0.01
    46   1     0.13  -0.03  -0.05    -0.14   0.04   0.08    -0.25  -0.24  -0.06
    47   1     0.13  -0.02  -0.06    -0.21  -0.05   0.08     0.23   0.26  -0.12
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1105.2193              1141.1898              1165.9972
 Red. masses --      1.9134                 1.8149                 1.8750
 Frc consts  --      1.3771                 1.3926                 1.5019
 IR Inten    --      0.4947                 1.9286                 0.0834
 RamAct Fr= 1--      1.6172                 0.5272                 1.4423
  Dep-P Fr= 1--      0.1239                 0.6630                 0.6301
  Dep-U Fr= 1--      0.2205                 0.7973                 0.7731
 Alpha2 Fr= 1--      0.0267                 0.0008                 0.0031
 Beta2  Fr= 1--      0.0594                 0.0701                 0.1858
 AlphaG Fr= 1--      0.0984                 0.0030                 0.0056
 Gamma2 Fr= 1--     -0.6850                -1.2062                 0.6528
 Delta2 Fr= 1--     -0.5811                -0.3926                 0.4930
 Raman1 Fr= 1--       6.469                  2.109                  5.769
 ROA1   Fr= 1--     -84.356               -128.360                 78.447
 CID1   Fr= 1--     -13.040                -60.871                 13.597
 Raman2 Fr= 1--       0.713                  0.841                  2.230
 ROA2   Fr= 1--     -11.791                -25.809                 11.723
 CID2   Fr= 1--     -16.533                -30.700                  5.257
 Raman3 Fr= 1--       1.426                  1.681                  4.460
 ROA3   Fr= 1--     -84.356               -128.360                 78.447
 CID3   Fr= 1--     -59.139                -76.343                 17.589
 RC180  Fr= 1--      -0.559                  0.595                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09   0.07    -0.02  -0.02   0.03    -0.01  -0.02   0.02
     2   6    -0.01  -0.09  -0.03    -0.03   0.07  -0.04     0.02   0.03  -0.04
     3   6     0.06   0.01   0.05    -0.04   0.06   0.00    -0.02   0.06  -0.01
     4   6    -0.09  -0.02  -0.07     0.03  -0.04  -0.00     0.02  -0.03  -0.02
     5   6     0.10   0.06   0.06    -0.02   0.00   0.02    -0.01  -0.00   0.02
     6   6    -0.06  -0.07  -0.08     0.03  -0.00  -0.02     0.01   0.00  -0.01
     7   6     0.00   0.02  -0.02    -0.04   0.00   0.02    -0.04   0.00   0.03
     8   6    -0.01   0.01   0.00    -0.00  -0.05   0.05     0.00  -0.03   0.03
     9   6     0.01  -0.02   0.01     0.05   0.01  -0.07     0.03  -0.00  -0.03
    10   6    -0.02   0.01  -0.00     0.02  -0.01  -0.02    -0.02   0.00   0.01
    11   6     0.02   0.01   0.00     0.03   0.01  -0.02     0.03   0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.05  -0.02  -0.07    -0.04  -0.02   0.00
    13   6    -0.02  -0.00  -0.01    -0.03  -0.07  -0.04    -0.05   0.04   0.06
    14   6     0.01  -0.01   0.01    -0.04  -0.07   0.00    -0.01   0.13   0.05
    15   6    -0.00   0.01   0.00    -0.05  -0.00   0.03     0.07  -0.01  -0.06
    16   6     0.00   0.00  -0.00    -0.00   0.05   0.04    -0.02  -0.07  -0.02
    17   6     0.02  -0.01   0.03    -0.01   0.01   0.05     0.00  -0.08  -0.01
    18   6    -0.02   0.01  -0.03     0.02   0.02  -0.03    -0.01   0.02   0.02
    19   6     0.00  -0.02   0.03    -0.02  -0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.00   0.02  -0.02     0.04   0.05  -0.00    -0.06  -0.03   0.03
    21  40     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.06   0.04     0.04  -0.24   0.15     0.01  -0.09   0.06
    25   1    -0.01   0.05   0.02     0.03  -0.02   0.00    -0.02   0.00   0.03
    26   1    -0.15  -0.27   0.23    -0.12  -0.01   0.08    -0.01   0.00   0.02
    27   1     0.06   0.11  -0.32     0.03  -0.02   0.01    -0.16  -0.02   0.10
    28   1     0.16  -0.01   0.09     0.03   0.07   0.01     0.04   0.00   0.01
    29   1    -0.24  -0.12   0.05    -0.05   0.02   0.02     0.01  -0.06   0.02
    30   1    -0.21   0.16   0.19     0.03   0.01  -0.02    -0.03  -0.06   0.06
    31   1     0.04  -0.05  -0.31    -0.04  -0.04   0.08     0.02   0.07  -0.04
    32   1    -0.33   0.29   0.10     0.16  -0.02  -0.10    -0.00   0.04  -0.01
    33   1     0.17  -0.09   0.10     0.13  -0.06  -0.06     0.09  -0.04  -0.02
    34   1    -0.02   0.02  -0.06    -0.13   0.15  -0.20    -0.05   0.05  -0.10
    35   1    -0.01   0.06  -0.00     0.23  -0.27   0.29     0.05   0.02   0.08
    36   1     0.02   0.06   0.01     0.23   0.28   0.28     0.04   0.13   0.03
    37   1    -0.02  -0.02   0.02    -0.13  -0.16  -0.18     0.03   0.03   0.09
    38   1     0.01   0.01   0.01     0.04   0.24   0.15     0.00   0.05   0.02
    39   1    -0.02  -0.02   0.03     0.02   0.01   0.02     0.21   0.08  -0.16
    40   1     0.04  -0.05  -0.10    -0.08  -0.04   0.02     0.34  -0.02  -0.28
    41   1    -0.04   0.07   0.03    -0.04   0.07   0.05     0.14   0.01  -0.14
    42   1    -0.02  -0.05   0.03    -0.02  -0.03  -0.04    -0.23  -0.26  -0.02
    43   1     0.04   0.01  -0.07     0.02   0.03  -0.02     0.21   0.16   0.02
    44   1    -0.07   0.05  -0.01    -0.08   0.06   0.00     0.03   0.10   0.16
    45   1     0.09   0.01   0.01     0.07   0.03   0.01    -0.06   0.08   0.12
    46   1     0.09   0.07   0.01     0.14   0.04  -0.05    -0.30  -0.04   0.11
    47   1    -0.03  -0.06   0.02     0.15   0.02  -0.04     0.29   0.01  -0.14
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1167.3161              1172.1209              1174.1955
 Red. masses --      1.5580                 1.3328                 1.3051
 Frc consts  --      1.2508                 1.0789                 1.0601
 IR Inten    --      0.5666                 0.8334                 1.9199
 RamAct Fr= 1--      0.2438                 1.4097                 0.6963
  Dep-P Fr= 1--      0.4724                 0.3731                 0.6766
  Dep-U Fr= 1--      0.6416                 0.5434                 0.8071
 Alpha2 Fr= 1--      0.0014                 0.0115                 0.0009
 Beta2  Fr= 1--      0.0261                 0.1277                 0.0937
 AlphaG Fr= 1--      0.0282                -0.0316                 0.0037
 Gamma2 Fr= 1--     -1.3531                -0.9554                 0.5582
 Delta2 Fr= 1--     -0.3414                 0.3545                 0.3585
 Raman1 Fr= 1--       0.975                  5.639                  2.785
 ROA1   Fr= 1--    -140.821                -80.374                 65.059
 CID1   Fr= 1--    -144.411                -14.253                 23.360
 Raman2 Fr= 1--       0.313                  1.532                  1.124
 ROA2   Fr= 1--     -29.742                -25.766                 10.529
 CID2   Fr= 1--     -95.069                -16.817                  9.368
 Raman3 Fr= 1--       0.626                  3.064                  2.248
 ROA3   Fr= 1--    -140.821                -80.374                 65.059
 CID3   Fr= 1--    -225.064                -26.229                 28.943
 RC180  Fr= 1--       0.283                  0.087                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06  -0.01     0.03   0.00   0.04    -0.04   0.01  -0.04
     2   6    -0.05  -0.05   0.04     0.00  -0.00  -0.05    -0.00   0.01   0.04
     3   6    -0.01  -0.11   0.04    -0.02   0.02  -0.04     0.01  -0.03   0.06
     4   6    -0.02   0.05   0.07     0.03   0.00   0.02    -0.03  -0.00   0.00
     5   6     0.01   0.00  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.02     0.00   0.00  -0.01     0.00  -0.02   0.02
     7   6     0.05   0.01  -0.05    -0.03   0.01   0.02     0.02   0.00  -0.03
     8   6    -0.02   0.05  -0.01     0.00  -0.03   0.02    -0.01   0.03  -0.00
     9   6    -0.02   0.02  -0.00     0.03  -0.02  -0.01    -0.01   0.03  -0.02
    10   6     0.01  -0.01  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.02   0.00  -0.01     0.01   0.00  -0.01
    12   6     0.00  -0.01  -0.02    -0.03   0.00   0.02    -0.01  -0.01  -0.02
    13   6    -0.01   0.00   0.00    -0.01   0.00   0.06     0.00  -0.01   0.04
    14   6    -0.02   0.03   0.02     0.05   0.02   0.02     0.02   0.02   0.04
    15   6     0.01  -0.01  -0.01     0.03   0.01  -0.02     0.01   0.00  -0.02
    16   6    -0.01  -0.01   0.00    -0.00  -0.02  -0.01    -0.01  -0.02   0.00
    17   6    -0.00  -0.03   0.01    -0.01   0.01  -0.04    -0.02   0.00  -0.03
    18   6    -0.00   0.01   0.01     0.00  -0.01   0.01     0.01   0.01   0.01
    19   6     0.01  -0.01  -0.01     0.01  -0.01   0.00     0.01  -0.02  -0.00
    20   6    -0.01  -0.01   0.01    -0.04   0.01  -0.02    -0.04   0.02  -0.02
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.06   0.03     0.01  -0.01   0.02     0.01  -0.12   0.06
    25   1     0.18  -0.07  -0.14    -0.04   0.01   0.03     0.15  -0.06  -0.10
    26   1    -0.16  -0.06   0.08    -0.29  -0.08   0.19     0.24   0.07  -0.17
    27   1     0.42   0.06  -0.29     0.02   0.01  -0.06     0.06   0.00   0.01
    28   1    -0.07   0.01  -0.01     0.14  -0.14   0.03    -0.20   0.22  -0.04
    29   1    -0.12   0.24  -0.04    -0.18   0.21  -0.00     0.18  -0.20   0.00
    30   1     0.14   0.24  -0.23     0.09   0.16  -0.13    -0.06  -0.11   0.09
    31   1    -0.09  -0.26   0.17    -0.01   0.00   0.02    -0.03  -0.11   0.05
    32   1     0.20  -0.15  -0.09     0.23  -0.09  -0.14    -0.17   0.07   0.11
    33   1    -0.15   0.09  -0.00    -0.19   0.05   0.09     0.27  -0.07  -0.16
    34   1     0.01  -0.01   0.02    -0.03   0.03  -0.08    -0.00  -0.00   0.01
    35   1     0.05  -0.09   0.06    -0.00   0.07   0.02     0.07  -0.08   0.08
    36   1     0.06   0.05   0.08    -0.01   0.05  -0.04     0.05   0.06   0.06
    37   1    -0.02  -0.02  -0.04     0.01   0.01   0.07    -0.01  -0.01  -0.00
    38   1     0.01   0.10   0.06    -0.02  -0.10  -0.06    -0.01   0.05   0.02
    39   1     0.10   0.04  -0.07    -0.02  -0.02   0.02     0.09   0.03  -0.04
    40   1     0.11  -0.02  -0.11    -0.15   0.03   0.17    -0.14   0.02   0.15
    41   1    -0.01   0.01  -0.00     0.30  -0.04  -0.22     0.28  -0.03  -0.21
    42   1    -0.09  -0.10  -0.01     0.02   0.03   0.00    -0.03  -0.03   0.00
    43   1     0.10   0.08   0.01    -0.18  -0.18  -0.05    -0.14  -0.14  -0.05
    44   1     0.01   0.03   0.04    -0.04   0.13   0.14    -0.06   0.17   0.18
    45   1    -0.02   0.05   0.07     0.08  -0.19  -0.22     0.08  -0.18  -0.21
    46   1    -0.10  -0.02   0.03     0.22   0.07  -0.04     0.22   0.08  -0.04
    47   1     0.16   0.01  -0.07    -0.22  -0.08   0.10    -0.09  -0.07   0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1185.9456              1201.5695              1215.9509
 Red. masses --      1.5694                 1.6277                 1.5724
 Frc consts  --      1.3005                 1.3846                 1.3698
 IR Inten    --      0.2102                 0.8026                 1.0355
 RamAct Fr= 1--      4.3603                 0.5292                 1.6845
  Dep-P Fr= 1--      0.1414                 0.7458                 0.3492
  Dep-U Fr= 1--      0.2478                 0.8544                 0.5177
 Alpha2 Fr= 1--      0.0689                 0.0000                 0.0148
 Beta2  Fr= 1--      0.1801                 0.0754                 0.1453
 AlphaG Fr= 1--      0.0726                -0.0007                -0.0223
 Gamma2 Fr= 1--     -4.0066                 1.9390                -1.9716
 Delta2 Fr= 1--     -2.6766                 1.2272                -0.5490
 Raman1 Fr= 1--      17.441                  2.117                  6.738
 ROA1   Fr= 1--    -470.283                225.410               -206.838
 CID1   Fr= 1--     -26.964                106.483                -30.697
 Raman2 Fr= 1--       2.161                  0.904                  1.744
 ROA2   Fr= 1--     -74.746                 36.717                -42.925
 CID2   Fr= 1--     -34.586                 40.602                -24.613
 Raman3 Fr= 1--       4.322                  1.809                  3.488
 ROA3   Fr= 1--    -470.283                225.410               -206.838
 CID3   Fr= 1--    -108.804                124.630                -59.299
 RC180  Fr= 1--      -0.504                  0.709                  0.035
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.02    -0.05   0.00   0.02    -0.04  -0.00   0.01
     2   6    -0.03  -0.03   0.06     0.03   0.02  -0.06     0.01   0.01  -0.03
     3   6     0.03  -0.01  -0.04     0.02   0.02  -0.02     0.07   0.01  -0.06
     4   6     0.01   0.02  -0.03    -0.01  -0.02   0.04    -0.01  -0.01   0.02
     5   6    -0.01  -0.03   0.01    -0.00   0.04  -0.02    -0.01   0.04  -0.01
     6   6    -0.02   0.04  -0.01     0.03  -0.05   0.01     0.03  -0.03   0.00
     7   6     0.03  -0.03   0.00    -0.02   0.02   0.00     0.00  -0.01   0.00
     8   6     0.00   0.02  -0.03     0.02  -0.04   0.01     0.00  -0.04   0.02
     9   6    -0.05   0.01   0.05     0.03  -0.07   0.03     0.00  -0.07   0.05
    10   6     0.04  -0.00  -0.02    -0.01   0.02   0.01     0.01   0.03  -0.02
    11   6    -0.04  -0.00   0.02    -0.02  -0.02   0.02    -0.01   0.03   0.02
    12   6     0.05  -0.00  -0.05     0.03   0.07   0.02    -0.01  -0.08  -0.05
    13   6     0.03  -0.04  -0.04     0.04  -0.03  -0.06    -0.02   0.02   0.03
    14   6    -0.04  -0.00   0.04     0.01  -0.02  -0.03    -0.05   0.01   0.06
    15   6    -0.03  -0.03  -0.00    -0.03  -0.02   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.02   0.03     0.02   0.04   0.01    -0.01  -0.04  -0.02
    17   6    -0.04  -0.02   0.02    -0.04  -0.02   0.04     0.03   0.01  -0.03
    18   6     0.02   0.04   0.02     0.03   0.04   0.02    -0.03  -0.03  -0.01
    19   6     0.01  -0.03  -0.02    -0.01  -0.04  -0.03     0.02   0.03   0.03
    20   6    -0.03   0.04   0.00    -0.02   0.03   0.02     0.01  -0.01  -0.03
    21  40    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.04   0.20  -0.11    -0.03   0.17  -0.10    -0.08   0.32  -0.17
    25   1    -0.16   0.06   0.10    -0.13   0.09   0.07    -0.30   0.16   0.19
    26   1     0.07   0.01  -0.03    -0.10  -0.01   0.04    -0.05   0.00   0.01
    27   1    -0.09  -0.01   0.06     0.15   0.00  -0.07     0.18  -0.00  -0.07
    28   1     0.18  -0.23   0.03    -0.19   0.27  -0.03    -0.13   0.20  -0.02
    29   1    -0.05   0.07  -0.00     0.06  -0.08   0.01     0.05  -0.08   0.01
    30   1    -0.03  -0.07   0.05     0.05   0.09  -0.07     0.04   0.05  -0.04
    31   1     0.09   0.22  -0.16    -0.10  -0.22   0.20    -0.07  -0.11   0.15
    32   1    -0.09   0.02   0.05     0.04  -0.01  -0.00    -0.04   0.02   0.05
    33   1    -0.28   0.07   0.19     0.17  -0.05  -0.11    -0.01  -0.01   0.02
    34   1    -0.02   0.03   0.09     0.00   0.01   0.01    -0.08   0.11  -0.05
    35   1    -0.02  -0.08  -0.07    -0.16   0.20  -0.20    -0.06   0.05  -0.11
    36   1     0.03  -0.07   0.09    -0.14  -0.19  -0.17     0.09   0.09   0.14
    37   1     0.02   0.02  -0.08    -0.00  -0.01  -0.01     0.07   0.10   0.02
    38   1     0.03   0.20   0.12    -0.02  -0.14  -0.09     0.08   0.31   0.17
    39   1     0.19   0.07  -0.10    -0.13  -0.08   0.06     0.30   0.15  -0.16
    40   1    -0.11  -0.02   0.09    -0.06  -0.03   0.04     0.01   0.02   0.00
    41   1     0.12   0.00  -0.09     0.08   0.02  -0.06    -0.10  -0.03   0.07
    42   1    -0.17  -0.19  -0.03    -0.22  -0.23  -0.07     0.18   0.18   0.07
    43   1     0.02   0.01  -0.02     0.09   0.09   0.02    -0.10  -0.10  -0.04
    44   1    -0.08   0.22   0.24    -0.09   0.19   0.20     0.07  -0.11  -0.11
    45   1     0.08  -0.10  -0.13     0.03  -0.04  -0.06     0.00   0.00   0.01
    46   1     0.13   0.06  -0.03    -0.02   0.01  -0.01     0.10   0.02  -0.01
    47   1     0.29  -0.02  -0.11     0.26   0.03  -0.10    -0.06  -0.04   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1224.8508              1242.4046              1277.5573
 Red. masses --      1.3726                 1.3093                 1.2551
 Frc consts  --      1.2132                 1.1907                 1.2069
 IR Inten    --      1.0867                 0.0141                 2.5236
 RamAct Fr= 1--      0.8958                 7.8483                 0.7067
  Dep-P Fr= 1--      0.4822                 0.3123                 0.7273
  Dep-U Fr= 1--      0.6507                 0.4760                 0.8421
 Alpha2 Fr= 1--      0.0048                 0.0776                 0.0003
 Beta2  Fr= 1--      0.0971                 0.6226                 0.0992
 AlphaG Fr= 1--     -0.0095                -0.0079                 0.0120
 Gamma2 Fr= 1--     -1.0518                 5.6841                 1.2783
 Delta2 Fr= 1--     -0.6080                -1.1211                 0.5244
 Raman1 Fr= 1--       3.583                 31.393                  2.827
 ROA1   Fr= 1--    -120.426                509.797                139.496
 CID1   Fr= 1--     -33.610                 16.239                 49.351
 Raman2 Fr= 1--       1.166                  7.471                  1.190
 ROA2   Fr= 1--     -20.378                145.386                 26.484
 CID2   Fr= 1--     -17.482                 19.460                 22.253
 Raman3 Fr= 1--       2.331                 14.942                  2.380
 ROA3   Fr= 1--    -120.426                509.797                139.496
 CID3   Fr= 1--     -51.654                 34.119                 58.605
 RC180  Fr= 1--       0.301                 -0.048                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.00   0.00  -0.01    -0.01   0.01   0.01
     2   6     0.04  -0.00  -0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
     3   6    -0.07   0.02   0.04     0.00  -0.01   0.00    -0.01  -0.02  -0.02
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     5   6     0.02  -0.01   0.00    -0.00  -0.00  -0.00     0.05   0.05   0.08
     6   6    -0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.03  -0.04  -0.07
     7   6    -0.03   0.03   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     8   6     0.01  -0.00  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.03   0.03  -0.02    -0.03  -0.01  -0.02    -0.01   0.00  -0.00
    10   6    -0.02  -0.00   0.01     0.01  -0.02   0.10     0.00  -0.00  -0.00
    11   6    -0.02   0.01   0.02    -0.01  -0.02  -0.10     0.00  -0.00  -0.00
    12   6     0.02  -0.04  -0.03     0.03  -0.01   0.02     0.00  -0.00  -0.00
    13   6     0.04   0.00  -0.03     0.02  -0.01  -0.03     0.00  -0.00  -0.00
    14   6    -0.06  -0.02   0.05    -0.01  -0.01  -0.00     0.01  -0.00  -0.00
    15   6    -0.03  -0.02   0.01    -0.01  -0.00   0.01     0.00   0.00   0.00
    16   6     0.01  -0.01  -0.01     0.00   0.01  -0.00    -0.00  -0.00   0.00
    17   6     0.01   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
    18   6    -0.01   0.00   0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    19   6     0.02   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.01  -0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    21  40    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.08  -0.23   0.12    -0.01   0.02  -0.02    -0.01   0.02  -0.01
    25   1     0.24  -0.12  -0.15     0.03  -0.00  -0.01    -0.02  -0.00   0.00
    26   1    -0.04  -0.02   0.04     0.02   0.01  -0.02     0.45  -0.02  -0.18
    27   1    -0.19   0.01   0.06     0.03   0.00  -0.01    -0.21   0.01   0.07
    28   1     0.02  -0.06   0.01     0.00  -0.01  -0.00    -0.04   0.21   0.02
    29   1    -0.06   0.04  -0.00     0.00   0.01  -0.00    -0.03  -0.29   0.04
    30   1     0.01   0.06  -0.03    -0.00  -0.01   0.00    -0.03   0.26   0.03
    31   1     0.00  -0.05  -0.03     0.00   0.00   0.00    -0.04  -0.16  -0.02
    32   1     0.13  -0.03  -0.09    -0.03   0.00   0.02     0.43  -0.05  -0.36
    33   1     0.13  -0.03  -0.11    -0.01   0.00   0.00    -0.29   0.04   0.25
    34   1     0.17  -0.19   0.20    -0.29   0.34  -0.47    -0.01   0.01  -0.00
    35   1    -0.16   0.21  -0.21     0.06  -0.02   0.16     0.02  -0.01   0.02
    36   1    -0.14  -0.20  -0.17    -0.08  -0.05  -0.19     0.00  -0.00  -0.00
    37   1     0.15   0.18   0.16     0.31   0.36   0.48     0.01   0.01   0.02
    38   1     0.08   0.25   0.13     0.02   0.03   0.03    -0.01   0.00  -0.00
    39   1     0.27   0.12  -0.15    -0.00   0.01  -0.01    -0.01  -0.00   0.01
    40   1    -0.08  -0.01   0.06    -0.04  -0.01   0.03     0.02   0.00  -0.01
    41   1    -0.14  -0.04   0.10    -0.05   0.00   0.04    -0.00   0.00  -0.00
    42   1     0.05   0.05   0.06    -0.00  -0.01   0.01    -0.01  -0.01  -0.01
    43   1    -0.06  -0.06  -0.03    -0.00  -0.00  -0.00     0.01   0.01   0.01
    44   1     0.03  -0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.01   0.01
    45   1     0.03  -0.04  -0.04     0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    46   1     0.10   0.03  -0.02     0.01   0.00  -0.01     0.01  -0.00  -0.01
    47   1     0.16  -0.03  -0.06     0.05  -0.00  -0.02    -0.03   0.00   0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1278.2345              1290.5615              1296.8653
 Red. masses --      1.2589                 1.4231                 1.3389
 Frc consts  --      1.2119                 1.3965                 1.3267
 IR Inten    --      3.1311                 1.5080                 1.4843
 RamAct Fr= 1--      1.7617                11.5589                 6.7926
  Dep-P Fr= 1--      0.5454                 0.1830                 0.7398
  Dep-U Fr= 1--      0.7058                 0.3094                 0.8505
 Alpha2 Fr= 1--      0.0069                 0.1641                 0.0012
 Beta2  Fr= 1--      0.2072                 0.5961                 0.9628
 AlphaG Fr= 1--     -0.0898                 0.2598                 0.0102
 Gamma2 Fr= 1--     -2.2398                 8.3624                -5.9871
 Delta2 Fr= 1--     -0.8678                 2.5724                -2.6825
 Raman1 Fr= 1--       7.047                 46.236                 27.170
 ROA1   Fr= 1--    -242.791                885.110               -660.597
 CID1   Fr= 1--     -34.455                 19.143                -24.313
 Raman2 Fr= 1--       2.487                  7.153                 11.554
 ROA2   Fr= 1--     -46.814                180.119               -122.230
 CID2   Fr= 1--     -18.824                 25.182                -10.579
 Raman3 Fr= 1--       4.974                 14.305                 23.108
 ROA3   Fr= 1--    -242.791                885.110               -660.597
 CID3   Fr= 1--     -48.815                 61.873                -28.588
 RC180  Fr= 1--       0.412                 -0.381                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.04   0.01   0.01
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.03
     3   6     0.00   0.00   0.00     0.03  -0.02  -0.02    -0.02   0.02   0.01
     4   6     0.00   0.00   0.00     0.01  -0.00  -0.04    -0.01   0.00   0.04
     5   6    -0.00  -0.00  -0.00    -0.02   0.01   0.03     0.02  -0.01  -0.03
     6   6     0.00   0.00   0.00     0.04   0.01   0.01    -0.04  -0.01  -0.02
     7   6    -0.00   0.00  -0.00     0.01  -0.03   0.02     0.00   0.02  -0.03
     8   6     0.00  -0.00   0.00    -0.04   0.03   0.02     0.03  -0.03  -0.01
     9   6     0.00  -0.00   0.00     0.03   0.03  -0.04    -0.02  -0.03   0.03
    10   6     0.00   0.00   0.00    -0.03   0.00   0.00     0.02  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.03  -0.00  -0.00     0.02   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.03   0.03   0.04    -0.02   0.03   0.03
    13   6    -0.01   0.01  -0.03    -0.01   0.01   0.00    -0.03  -0.00   0.01
    14   6     0.02  -0.01   0.02    -0.04  -0.02   0.01    -0.03  -0.01   0.00
    15   6     0.00   0.01   0.00    -0.00  -0.04  -0.02     0.01  -0.03  -0.02
    16   6    -0.01  -0.00   0.00     0.04   0.03  -0.02     0.03   0.03  -0.01
    17   6    -0.02   0.01  -0.01     0.02   0.03  -0.04     0.02   0.03  -0.03
    18   6     0.05  -0.06   0.08    -0.02  -0.02   0.02    -0.02  -0.02   0.02
    19   6    -0.03   0.05  -0.07     0.05  -0.01   0.02     0.04  -0.02   0.02
    20   6    -0.01   0.01   0.01    -0.04   0.03  -0.00    -0.03   0.02  -0.00
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.01  -0.12   0.11    -0.01   0.14  -0.11
    25   1    -0.00   0.00  -0.00    -0.01  -0.03   0.04    -0.03   0.05  -0.01
    26   1    -0.02   0.00   0.01    -0.16   0.03   0.04     0.24  -0.03  -0.07
    27   1     0.01  -0.00  -0.00     0.29  -0.01  -0.10    -0.28   0.01   0.10
    28   1     0.00  -0.01  -0.00    -0.07   0.17  -0.01     0.09  -0.18   0.01
    29   1     0.00   0.01  -0.00     0.16  -0.14   0.01    -0.17   0.12  -0.01
    30   1     0.00  -0.01  -0.00    -0.08  -0.13   0.14     0.08   0.14  -0.14
    31   1     0.00   0.01   0.00     0.04   0.16  -0.05    -0.05  -0.17   0.06
    32   1    -0.02   0.00   0.01     0.01   0.03  -0.05    -0.02  -0.02   0.05
    33   1     0.02  -0.00  -0.01    -0.27   0.05   0.23     0.24  -0.04  -0.20
    34   1     0.01  -0.01  -0.02     0.06  -0.08  -0.00    -0.09   0.11  -0.13
    35   1    -0.01  -0.01  -0.00     0.07  -0.05   0.14     0.04  -0.06   0.04
    36   1     0.01   0.01   0.01    -0.09  -0.05  -0.15     0.03   0.05   0.03
    37   1     0.01   0.01  -0.00    -0.05  -0.07  -0.01    -0.11  -0.12  -0.13
    38   1    -0.00   0.02   0.02     0.01  -0.12  -0.10    -0.01  -0.14  -0.11
    39   1    -0.02  -0.01   0.02     0.01  -0.03  -0.04    -0.03  -0.05  -0.01
    40   1     0.45   0.12  -0.30     0.06   0.05  -0.03     0.09   0.06  -0.05
    41   1    -0.31  -0.08   0.22    -0.22  -0.06   0.16    -0.17  -0.04   0.12
    42   1    -0.07  -0.03  -0.12     0.15   0.15   0.10     0.17   0.17   0.10
    43   1     0.02   0.07   0.23    -0.16  -0.17  -0.04    -0.17  -0.17  -0.04
    44   1     0.03   0.13   0.23     0.02   0.07   0.11     0.01   0.07   0.11
    45   1    -0.12  -0.18  -0.25     0.10  -0.12  -0.12     0.10  -0.11  -0.11
    46   1     0.41  -0.01  -0.18    -0.07   0.05   0.04    -0.12   0.04   0.06
    47   1    -0.21   0.03   0.09     0.37  -0.03  -0.15     0.32  -0.03  -0.13
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1310.6630              1315.4691              1349.4559
 Red. masses --      1.8282                 1.7671                 1.6994
 Frc consts  --      1.8504                 1.8016                 1.8233
 IR Inten    --      4.0182                 1.5265                 0.1477
 RamAct Fr= 1--     11.0239                18.6889                 4.4611
  Dep-P Fr= 1--      0.1683                 0.0505                 0.2857
  Dep-U Fr= 1--      0.2881                 0.0961                 0.4444
 Alpha2 Fr= 1--      0.1626                 0.3688                 0.0477
 Beta2  Fr= 1--      0.5294                 0.2992                 0.3304
 AlphaG Fr= 1--      0.1394                 0.5986                -0.3634
 Gamma2 Fr= 1--     -2.1797                 1.7947                 3.0559
 Delta2 Fr= 1--     -0.2778                -0.9683                -1.9519
 Raman1 Fr= 1--      44.095                 74.755                 17.844
 ROA1   Fr= 1--    -218.141                141.307                230.903
 CID1   Fr= 1--      -4.947                  1.890                 12.940
 Raman2 Fr= 1--       6.353                  3.591                  3.965
 ROA2   Fr= 1--     -50.091                 50.819                 88.957
 CID2   Fr= 1--      -7.885                 14.152                 22.436
 Raman3 Fr= 1--      12.706                  7.182                  7.930
 ROA3   Fr= 1--    -218.141                141.307                230.903
 CID3   Fr= 1--     -17.168                 19.675                 29.119
 RC180  Fr= 1--      -0.424                 -0.808                 -0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.03     0.00  -0.00   0.01    -0.07  -0.00   0.05
     2   6    -0.04  -0.03   0.06    -0.01   0.01   0.00    -0.04   0.01   0.04
     3   6    -0.09   0.01   0.06     0.02  -0.01  -0.01    -0.00  -0.00   0.01
     4   6    -0.02  -0.00  -0.03     0.00   0.00   0.01     0.01   0.00  -0.01
     5   6     0.01  -0.02   0.03    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
     6   6     0.02   0.04   0.02    -0.01  -0.00  -0.01     0.01   0.02  -0.02
     7   6    -0.05   0.11  -0.04     0.01  -0.02  -0.00    -0.02   0.05  -0.02
     8   6     0.10  -0.06  -0.05    -0.02   0.01   0.01     0.02  -0.06   0.03
     9   6     0.01  -0.10   0.05     0.00   0.01  -0.01     0.06  -0.04  -0.02
    10   6     0.03  -0.00   0.02    -0.02  -0.01   0.00    -0.07   0.04  -0.04
    11   6    -0.01   0.01   0.01     0.03  -0.00   0.01     0.07   0.04   0.03
    12   6     0.01   0.03   0.00     0.01   0.09   0.05    -0.07  -0.04   0.02
    13   6    -0.03   0.00   0.02    -0.03   0.04   0.05     0.05   0.01  -0.02
    14   6    -0.02  -0.00   0.02    -0.08  -0.03   0.07     0.00  -0.01  -0.02
    15   6    -0.01  -0.02  -0.02    -0.06  -0.11  -0.03     0.01   0.04   0.03
    16   6     0.02   0.01  -0.01     0.10   0.05  -0.05    -0.01  -0.05  -0.03
    17   6    -0.00  -0.00   0.00    -0.01  -0.03   0.01     0.05  -0.00  -0.04
    18   6    -0.00  -0.01  -0.01     0.01   0.00  -0.03    -0.00   0.02   0.02
    19   6     0.00   0.01   0.00    -0.02   0.04  -0.01    -0.01   0.01  -0.01
    20   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.06   0.11  -0.17    -0.02  -0.00   0.02    -0.03   0.12  -0.07
    25   1     0.22  -0.02  -0.21    -0.05   0.01   0.04    -0.00   0.05  -0.03
    26   1    -0.05   0.03  -0.02     0.08  -0.01  -0.02     0.41  -0.03  -0.15
    27   1     0.31  -0.00  -0.10    -0.06  -0.00   0.02     0.27  -0.01  -0.08
    28   1     0.02   0.03   0.01     0.03  -0.04   0.00     0.20  -0.20   0.02
    29   1     0.15  -0.06  -0.01    -0.05   0.03  -0.00    -0.14   0.16  -0.00
    30   1    -0.13  -0.23   0.22     0.03   0.04  -0.05     0.00  -0.09   0.01
    31   1     0.12   0.26  -0.21    -0.02  -0.06   0.04     0.01   0.02  -0.02
    32   1     0.28  -0.02  -0.27    -0.06   0.00   0.06    -0.06   0.01   0.05
    33   1     0.00  -0.01   0.01     0.01   0.00  -0.01     0.01  -0.00  -0.01
    34   1    -0.14   0.17  -0.18    -0.05   0.02  -0.08     0.04  -0.06   0.01
    35   1    -0.15   0.13  -0.23     0.10  -0.06   0.16     0.16  -0.08   0.27
    36   1     0.04   0.02   0.08    -0.17  -0.15  -0.26    -0.16  -0.09  -0.26
    37   1    -0.09  -0.08  -0.16    -0.11  -0.14  -0.12    -0.03  -0.05   0.01
    38   1     0.01  -0.03  -0.03     0.08  -0.06  -0.14     0.02   0.11   0.06
    39   1     0.05  -0.00  -0.04     0.27   0.04  -0.21     0.01   0.05   0.03
    40   1     0.05   0.01  -0.04     0.05  -0.02  -0.03    -0.26  -0.07   0.19
    41   1     0.06   0.01  -0.05     0.23   0.05  -0.18    -0.19  -0.05   0.14
    42   1     0.03   0.03  -0.00    -0.05  -0.04  -0.07    -0.19  -0.19  -0.03
    43   1    -0.01  -0.01  -0.01     0.11   0.10  -0.00     0.12   0.10   0.03
    44   1     0.02  -0.04  -0.04     0.08  -0.18  -0.21    -0.02   0.02   0.02
    45   1    -0.01   0.02   0.03    -0.12   0.15   0.16    -0.04  -0.03  -0.04
    46   1     0.07  -0.00  -0.02     0.46  -0.03  -0.19     0.03  -0.01  -0.02
    47   1    -0.01  -0.00   0.00    -0.08   0.02   0.03    -0.01   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1356.7759              1361.7742              1369.4842
 Red. masses --      1.4449                 1.4369                 1.4830
 Frc consts  --      1.5671                 1.5700                 1.6387
 IR Inten    --      0.7954                 4.3818                 1.1303
 RamAct Fr= 1--      1.1667                 3.1581                 4.5158
  Dep-P Fr= 1--      0.6224                 0.7489                 0.6124
  Dep-U Fr= 1--      0.7673                 0.8564                 0.7596
 Alpha2 Fr= 1--      0.0027                 0.0001                 0.0114
 Beta2  Fr= 1--      0.1492                 0.4508                 0.5717
 AlphaG Fr= 1--     -0.0065                 0.0059                 0.0341
 Gamma2 Fr= 1--     -0.7783                -0.4560                 4.1120
 Delta2 Fr= 1--     -0.2886                 0.3915                 2.7972
 Raman1 Fr= 1--       4.667                 12.632                 18.063
 ROA1   Fr= 1--     -83.956                -31.247                484.264
 CID1   Fr= 1--     -17.991                 -2.474                 26.809
 Raman2 Fr= 1--       1.790                  5.409                  6.860
 ROA2   Fr= 1--     -16.371                -14.076                 76.311
 CID2   Fr= 1--      -9.144                 -2.602                 11.124
 Raman3 Fr= 1--       3.581                 10.819                 13.721
 ROA3   Fr= 1--     -83.956                -31.247                484.264
 CID3   Fr= 1--     -23.447                 -2.888                 35.295
 RC180  Fr= 1--       0.535                  0.713                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.00   0.06    -0.03   0.00   0.02    -0.04   0.01   0.03
     2   6     0.00  -0.00   0.01     0.02  -0.02   0.00     0.01   0.02  -0.02
     3   6     0.00   0.01  -0.01    -0.00   0.02  -0.01     0.01  -0.02   0.01
     4   6     0.07  -0.01  -0.03     0.06  -0.01  -0.03    -0.06   0.02   0.03
     5   6    -0.03   0.01  -0.01    -0.02   0.01   0.01     0.00  -0.01  -0.01
     6   6     0.02   0.00  -0.03    -0.00   0.00  -0.02     0.04  -0.03   0.00
     7   6    -0.04   0.01   0.03    -0.03  -0.00   0.04     0.02  -0.00  -0.02
     8   6     0.00   0.00  -0.01     0.01   0.02  -0.03    -0.02  -0.02   0.03
     9   6     0.03  -0.01  -0.03    -0.01   0.01  -0.00     0.03  -0.01  -0.01
    10   6     0.01  -0.01   0.02     0.05  -0.03   0.03    -0.02   0.05  -0.03
    11   6    -0.02  -0.01   0.00    -0.03  -0.01  -0.03    -0.04  -0.06  -0.05
    12   6     0.05   0.02  -0.03    -0.02   0.00   0.02     0.03   0.01  -0.01
    13   6    -0.02  -0.01   0.00    -0.01  -0.01   0.01    -0.01  -0.02  -0.01
    14   6     0.00   0.00  -0.00     0.00   0.01   0.02     0.01   0.02   0.01
    15   6    -0.02  -0.02   0.00     0.04   0.00  -0.04     0.02  -0.01  -0.03
    16   6     0.00   0.01   0.01    -0.00   0.01   0.01    -0.01   0.04   0.04
    17   6    -0.07   0.00   0.04     0.07   0.00  -0.04    -0.02   0.01   0.02
    18   6     0.01  -0.02  -0.02    -0.02   0.02   0.01    -0.01   0.00  -0.01
    19   6    -0.00  -0.02   0.01     0.02   0.02  -0.02     0.03  -0.01  -0.03
    20   6     0.04   0.01  -0.02    -0.08  -0.02   0.04    -0.06  -0.01   0.03
    21  40     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.03  -0.11   0.05     0.05  -0.13   0.05    -0.05   0.08  -0.02
    25   1     0.11  -0.07  -0.05     0.11  -0.08  -0.04    -0.10   0.06   0.05
    26   1     0.43  -0.05  -0.15     0.13  -0.02  -0.04     0.20  -0.04  -0.06
    27   1     0.27   0.00  -0.09     0.09   0.00  -0.04     0.05   0.01  -0.01
    28   1     0.14  -0.11   0.01     0.01  -0.00  -0.01     0.03   0.00   0.01
    29   1    -0.17   0.13   0.01    -0.03  -0.04   0.02    -0.18   0.31  -0.03
    30   1     0.08   0.03  -0.09     0.08   0.11  -0.11    -0.07  -0.19   0.11
    31   1    -0.06  -0.06   0.08    -0.06  -0.09   0.09     0.08   0.20  -0.13
    32   1    -0.25   0.03   0.22    -0.19   0.02   0.18     0.15   0.00  -0.15
    33   1    -0.15   0.03   0.12    -0.13   0.02   0.10     0.11  -0.01  -0.11
    34   1     0.01  -0.01  -0.00    -0.01   0.04  -0.08     0.14  -0.13   0.26
    35   1    -0.11   0.12  -0.16    -0.18   0.11  -0.27     0.04  -0.04   0.07
    36   1    -0.01  -0.06   0.00     0.19   0.13   0.27     0.11   0.08   0.18
    37   1     0.01   0.02   0.00    -0.05  -0.02  -0.03     0.14   0.14   0.27
    38   1    -0.00   0.02   0.01    -0.04  -0.12  -0.06    -0.05  -0.12  -0.05
    39   1     0.04   0.01  -0.02    -0.11  -0.07   0.04    -0.10  -0.08   0.03
    40   1     0.28   0.08  -0.19    -0.27  -0.09   0.16     0.06   0.03  -0.03
    41   1     0.19   0.05  -0.14    -0.17  -0.06   0.14     0.05   0.03  -0.04
    42   1     0.16   0.15   0.02    -0.11  -0.09  -0.01     0.13   0.13   0.05
    43   1    -0.13  -0.10  -0.00     0.10   0.06  -0.03    -0.06  -0.08  -0.06
    44   1    -0.03   0.04   0.05     0.07  -0.09  -0.11     0.05  -0.05  -0.04
    45   1     0.07  -0.01  -0.02    -0.10   0.07   0.11    -0.06   0.17   0.22
    46   1    -0.21   0.02   0.09     0.37  -0.04  -0.16     0.27  -0.03  -0.12
    47   1    -0.09  -0.00   0.04     0.18  -0.01  -0.08     0.13  -0.01  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1370.8648              1374.9423              1375.3598
 Red. masses --      1.5332                 1.7070                 1.5263
 Frc consts  --      1.6976                 1.9013                 1.7011
 IR Inten    --      1.3649                 0.4529                 1.5698
 RamAct Fr= 1--      9.5004                 8.0238                 6.2806
  Dep-P Fr= 1--      0.3406                 0.3532                 0.2123
  Dep-U Fr= 1--      0.5081                 0.5220                 0.3503
 Alpha2 Fr= 1--      0.0860                 0.0697                 0.0825
 Beta2  Fr= 1--      0.8045                 0.6981                 0.3667
 AlphaG Fr= 1--     -0.0392                 0.0476                -0.0946
 Gamma2 Fr= 1--     -3.4308                -3.3829                -1.7194
 Delta2 Fr= 1--     -1.4245                -1.8343                -1.2202
 Raman1 Fr= 1--      38.001                 32.095                 25.122
 ROA1   Fr= 1--    -374.940               -383.459               -204.114
 CID1   Fr= 1--      -9.866                -11.948                 -8.125
 Raman2 Fr= 1--       9.654                  8.377                  4.400
 ROA2   Fr= 1--     -70.942                -66.515                -31.505
 CID2   Fr= 1--      -7.348                 -7.940                 -7.160
 Raman3 Fr= 1--      19.308                 16.754                  8.800
 ROA3   Fr= 1--    -374.940               -383.459               -204.114
 CID3   Fr= 1--     -19.419                -22.887                -23.194
 RC180  Fr= 1--       0.016                  0.044                 -0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.00   0.02  -0.01     0.01  -0.01  -0.00
     2   6     0.01   0.04  -0.02     0.01  -0.03   0.01    -0.01   0.02  -0.00
     3   6     0.01  -0.03   0.02    -0.00   0.02  -0.01     0.00  -0.01   0.01
     4   6    -0.03   0.02   0.01     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6    -0.03  -0.03   0.02    -0.03  -0.03   0.02     0.01   0.01  -0.01
     6   6     0.08  -0.09  -0.00     0.03  -0.04  -0.01    -0.02   0.02   0.00
     7   6     0.05  -0.05  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.01
     8   6    -0.04   0.06  -0.00     0.02  -0.00  -0.02    -0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.02    -0.02   0.00   0.02     0.01  -0.00  -0.02
    10   6     0.03  -0.06   0.05     0.01   0.02  -0.01     0.00  -0.03   0.03
    11   6     0.02   0.05   0.03    -0.01  -0.02  -0.04     0.03   0.05   0.05
    12   6    -0.01   0.00  -0.01    -0.04  -0.02   0.04     0.01  -0.01  -0.04
    13   6    -0.01  -0.01  -0.00     0.00   0.06   0.04    -0.00  -0.05  -0.03
    14   6    -0.00   0.01   0.01    -0.02  -0.06  -0.03     0.02   0.03   0.02
    15   6     0.02   0.02  -0.00    -0.07  -0.04   0.03     0.03   0.03  -0.00
    16   6    -0.01  -0.03  -0.01     0.05   0.04  -0.03    -0.03  -0.03   0.02
    17   6     0.01   0.00  -0.01     0.05  -0.01  -0.03    -0.01   0.02   0.02
    18   6     0.01   0.01   0.01    -0.08  -0.04   0.01    -0.05  -0.01  -0.00
    19   6    -0.01   0.01   0.02     0.01  -0.05  -0.08     0.04  -0.08  -0.11
    20   6     0.01  -0.00  -0.01     0.07   0.03  -0.01    -0.02  -0.00   0.04
    21  40     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.10   0.08     0.02  -0.00  -0.02    -0.01  -0.03   0.03
    25   1    -0.07   0.01   0.06     0.04  -0.02  -0.02    -0.02   0.01   0.02
    26   1     0.13  -0.02  -0.04     0.04  -0.02  -0.02    -0.05   0.02   0.02
    27   1    -0.14   0.02   0.03    -0.03   0.02  -0.00    -0.02  -0.01   0.01
    28   1    -0.15   0.30  -0.02    -0.11   0.21  -0.01     0.04  -0.08   0.00
    29   1    -0.28   0.42  -0.04    -0.09   0.13  -0.01     0.05  -0.08   0.01
    30   1     0.00  -0.04  -0.00     0.06   0.09  -0.08    -0.02  -0.02   0.03
    31   1     0.11   0.35  -0.19     0.04   0.16  -0.08    -0.02  -0.08   0.04
    32   1     0.04   0.02  -0.06    -0.04   0.02   0.03     0.00  -0.01   0.00
    33   1     0.04   0.01  -0.08     0.01   0.01  -0.03    -0.02   0.00   0.03
    34   1    -0.12   0.12  -0.26     0.03  -0.02   0.08    -0.09   0.08  -0.18
    35   1    -0.14   0.12  -0.20     0.02  -0.04   0.02    -0.03   0.05  -0.04
    36   1    -0.06  -0.08  -0.09     0.14   0.12   0.19    -0.17  -0.15  -0.25
    37   1    -0.13  -0.12  -0.23     0.02   0.04   0.12    -0.08  -0.08  -0.20
    38   1     0.00   0.06   0.03     0.05  -0.04  -0.06    -0.02   0.07   0.06
    39   1    -0.00   0.01   0.01     0.15   0.07  -0.08    -0.06  -0.01   0.05
    40   1    -0.05  -0.02   0.02    -0.14  -0.05   0.11    -0.03   0.02   0.03
    41   1    -0.05  -0.03   0.04    -0.01   0.02  -0.00    -0.01   0.03   0.01
    42   1    -0.08  -0.08  -0.04     0.12   0.12   0.13     0.26   0.26   0.18
    43   1    -0.01  -0.00   0.01     0.28   0.27   0.10    -0.02  -0.03  -0.05
    44   1    -0.00  -0.04  -0.05    -0.09   0.36   0.43    -0.03   0.22   0.28
    45   1     0.02  -0.07  -0.09    -0.05   0.08   0.09    -0.11   0.36   0.44
    46   1    -0.07   0.01   0.03    -0.11   0.02   0.04     0.18  -0.03  -0.08
    47   1    -0.02  -0.01   0.00    -0.19   0.07   0.09    -0.10   0.05   0.05
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1377.4098              1387.1761              1392.0722
 Red. masses --      1.6630                 1.6666                 1.5793
 Frc consts  --      1.8590                 1.8895                 1.8031
 IR Inten    --      1.1936                 0.5906                 0.7540
 RamAct Fr= 1--     28.5147                 3.2054                 1.3325
  Dep-P Fr= 1--      0.2190                 0.2585                 0.1545
  Dep-U Fr= 1--      0.3593                 0.4108                 0.2677
 Alpha2 Fr= 1--      0.3681                 0.0371                 0.0204
 Beta2  Fr= 1--      1.7075                 0.2195                 0.0594
 AlphaG Fr= 1--      0.0248                -0.0102                 0.1064
 Gamma2 Fr= 1--      4.7979                -0.9571                 1.4663
 Delta2 Fr= 1--     -1.8255                -0.2099                 0.1128
 Raman1 Fr= 1--     114.059                 12.822                  5.330
 ROA1   Fr= 1--     402.181                -98.601                144.375
 CID1   Fr= 1--       3.526                 -7.690                 27.087
 Raman2 Fr= 1--      20.490                  2.634                  0.713
 ROA2   Fr= 1--     129.753                -21.292                 34.288
 CID2   Fr= 1--       6.333                 -8.085                 48.069
 Raman3 Fr= 1--      40.979                  5.267                  1.427
 ROA3   Fr= 1--     402.181                -98.601                144.375
 CID3   Fr= 1--       9.814                -18.720                101.199
 RC180  Fr= 1--      -0.281                 -0.178                 -0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.04    -0.03  -0.04   0.02     0.00   0.00  -0.00
     2   6     0.00  -0.07   0.05    -0.02   0.05  -0.02    -0.00  -0.00   0.00
     3   6    -0.02   0.05  -0.01     0.01  -0.04   0.03    -0.00   0.00   0.00
     4   6     0.05   0.00  -0.02    -0.03   0.05   0.02     0.00  -0.00  -0.00
     5   6    -0.06  -0.06   0.07    -0.02  -0.13   0.08    -0.00   0.00   0.00
     6   6     0.04  -0.05  -0.02    -0.03   0.09  -0.04     0.00  -0.00   0.00
     7   6    -0.05   0.04   0.02     0.05  -0.02  -0.04    -0.00   0.01  -0.00
     8   6     0.05  -0.03  -0.04    -0.04   0.01   0.04     0.00  -0.01   0.00
     9   6    -0.03  -0.01   0.05     0.05  -0.02  -0.04     0.00  -0.00   0.00
    10   6    -0.03   0.03  -0.05     0.00   0.00   0.02    -0.01   0.00  -0.01
    11   6     0.02   0.00   0.02    -0.01  -0.01  -0.01     0.00   0.00   0.02
    12   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.04   0.01  -0.04
    13   6     0.01  -0.03  -0.03    -0.00   0.00   0.00    -0.02  -0.06  -0.01
    14   6     0.01   0.02   0.01    -0.00  -0.00   0.00     0.01   0.04   0.03
    15   6     0.03   0.02  -0.01    -0.00  -0.01  -0.00     0.04   0.01  -0.03
    16   6    -0.03  -0.02   0.01     0.00   0.01   0.00    -0.03   0.01   0.04
    17   6    -0.03   0.01   0.02     0.00   0.00   0.00     0.01   0.02   0.04
    18   6     0.02   0.02  -0.00    -0.00  -0.01  -0.00    -0.09  -0.11  -0.05
    19   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.02   0.08   0.04
    20   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.04  -0.02  -0.01
    21  40    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.05   0.05  -0.07    -0.05   0.00   0.04    -0.00   0.01  -0.01
    25   1     0.12  -0.04  -0.08    -0.13   0.08   0.07     0.00   0.00  -0.01
    26   1    -0.05   0.01  -0.01     0.03   0.07  -0.03    -0.00   0.00  -0.00
    27   1    -0.06   0.03  -0.02     0.20  -0.03  -0.08    -0.01   0.00  -0.00
    28   1    -0.22   0.40  -0.03     0.14  -0.09   0.01    -0.01   0.01  -0.00
    29   1    -0.03  -0.01   0.00     0.18  -0.39   0.07    -0.00   0.00  -0.00
    30   1     0.18   0.37  -0.27     0.18   0.48  -0.32     0.00   0.00  -0.00
    31   1     0.05   0.23  -0.12     0.12   0.23  -0.27    -0.00  -0.00   0.01
    32   1    -0.17   0.02   0.15    -0.01  -0.07   0.02    -0.01   0.00   0.01
    33   1     0.00   0.02  -0.04     0.23   0.00  -0.18    -0.01   0.00   0.01
    34   1     0.00  -0.02   0.09     0.03  -0.02  -0.02    -0.01   0.00   0.02
    35   1     0.20  -0.15   0.28    -0.10   0.08  -0.12     0.05  -0.00   0.06
    36   1    -0.13  -0.08  -0.18     0.03   0.02   0.05    -0.10  -0.10  -0.13
    37   1     0.04   0.02   0.02     0.01   0.02   0.02     0.02   0.01  -0.01
    38   1    -0.02   0.03   0.04    -0.00  -0.01  -0.01    -0.05  -0.03   0.01
    39   1    -0.06  -0.02   0.04     0.00  -0.00  -0.01    -0.10  -0.06   0.04
    40   1     0.09   0.04  -0.04    -0.01  -0.01  -0.00    -0.14  -0.08   0.02
    41   1     0.02   0.02  -0.02     0.01  -0.00  -0.01     0.18   0.05  -0.08
    42   1     0.03   0.03  -0.00     0.01   0.01   0.00     0.23   0.23   0.06
    43   1    -0.14  -0.14  -0.07     0.02   0.02   0.01     0.45   0.49   0.23
    44   1     0.03  -0.08  -0.10    -0.00   0.01   0.01     0.08  -0.03  -0.01
    45   1    -0.01   0.08   0.10     0.00  -0.02  -0.02    -0.00  -0.28  -0.31
    46   1     0.11  -0.02  -0.05    -0.01   0.00   0.01     0.04   0.05   0.05
    47   1     0.06  -0.01  -0.03    -0.01   0.00   0.00     0.13   0.00  -0.09
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1409.7560              1411.9643              1467.8954
 Red. masses --      2.5840                 2.6577                 1.8940
 Frc consts  --      3.0257                 3.1218                 2.4045
 IR Inten    --      4.4355                 3.6542                 1.1600
 RamAct Fr= 1--      4.9818                 5.6898                11.6698
  Dep-P Fr= 1--      0.1921                 0.1495                 0.2369
  Dep-U Fr= 1--      0.3224                 0.2601                 0.3831
 Alpha2 Fr= 1--      0.0691                 0.0881                 0.1434
 Beta2  Fr= 1--      0.2677                 0.2467                 0.7451
 AlphaG Fr= 1--     -0.3602                -0.5067                -0.6062
 Gamma2 Fr= 1--      0.6609                 1.3876                -1.5103
 Delta2 Fr= 1--      0.8784                 0.3210                -1.2596
 Raman1 Fr= 1--      19.927                 22.759                 46.679
 ROA1   Fr= 1--      91.555                143.487               -185.301
 CID1   Fr= 1--       4.594                  6.305                 -3.970
 Raman2 Fr= 1--       3.212                  2.960                  8.941
 ROA2   Fr= 1--       8.835                 30.735                -26.171
 CID2   Fr= 1--       2.751                 10.384                 -2.927
 Raman3 Fr= 1--       6.424                  5.920                 17.881
 ROA3   Fr= 1--      91.555                143.487               -185.301
 CID3   Fr= 1--      14.253                 24.237                -10.363
 RC180  Fr= 1--      -0.355                 -0.480                 -0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.09  -0.01  -0.03     0.02   0.03  -0.04
     2   6     0.01  -0.01  -0.01    -0.12   0.13   0.02    -0.07  -0.05   0.09
     3   6     0.00   0.01  -0.01    -0.03  -0.12   0.14     0.04   0.03  -0.05
     4   6    -0.01  -0.00   0.01     0.08   0.01  -0.09    -0.00  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.01  -0.05   0.00    -0.02  -0.02   0.00
     7   6     0.00  -0.02   0.01     0.03   0.07  -0.10    -0.02   0.01   0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.08   0.09    -0.01  -0.06   0.05
     9   6    -0.02   0.00   0.01     0.11  -0.05  -0.09     0.05   0.07  -0.09
    10   6     0.02  -0.02   0.01    -0.01   0.02   0.01     0.00  -0.01   0.04
    11   6     0.02   0.02  -0.00    -0.01  -0.02  -0.01    -0.00  -0.01  -0.03
    12   6    -0.10  -0.04   0.07    -0.01  -0.01   0.01    -0.03   0.06   0.06
    13   6     0.12   0.12  -0.01     0.01   0.02   0.00     0.04  -0.04  -0.06
    14   6     0.03  -0.12  -0.13     0.00  -0.02  -0.02    -0.03   0.02   0.04
    15   6    -0.02   0.08   0.10    -0.01   0.00   0.01     0.02   0.01  -0.01
    16   6    -0.01  -0.09  -0.08     0.00   0.00  -0.01     0.00  -0.05  -0.04
    17   6    -0.08  -0.02   0.06    -0.01  -0.00   0.01    -0.02   0.03   0.03
    18   6    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.02
    19   6     0.02   0.02   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.09   0.02   0.06    -0.01   0.00   0.01     0.01  -0.02  -0.02
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1     0.01  -0.05   0.03    -0.08   0.19  -0.09    -0.05   0.08  -0.02
    25   1     0.00  -0.02   0.01    -0.02   0.12  -0.07    -0.03   0.02   0.02
    26   1     0.01  -0.02   0.00    -0.17   0.12   0.04    -0.01  -0.11   0.01
    27   1     0.04  -0.00   0.01    -0.43   0.01   0.08     0.02   0.01   0.11
    28   1     0.02  -0.02   0.00    -0.15   0.17  -0.03     0.09   0.13   0.12
    29   1     0.01  -0.01   0.00    -0.07   0.05  -0.00     0.16   0.07  -0.13
    30   1    -0.00  -0.01   0.00     0.01   0.05  -0.01     0.05  -0.00  -0.03
    31   1     0.00   0.00  -0.01    -0.04  -0.04   0.10    -0.01  -0.02  -0.04
    32   1     0.03   0.00  -0.03    -0.32  -0.05   0.25     0.06   0.49  -0.07
    33   1     0.03  -0.01  -0.03    -0.29   0.06   0.35    -0.22   0.06  -0.43
    34   1    -0.07   0.07  -0.05     0.06  -0.05   0.04     0.13  -0.11  -0.09
    35   1    -0.02   0.06  -0.06    -0.10   0.13  -0.13    -0.14  -0.01  -0.15
    36   1     0.08   0.10   0.09     0.05   0.07   0.09     0.13  -0.06   0.13
    37   1    -0.08  -0.06  -0.06     0.04   0.05   0.06    -0.14  -0.10   0.10
    38   1     0.08   0.20   0.11     0.01  -0.00  -0.00     0.04   0.08   0.03
    39   1    -0.01   0.11   0.09     0.00   0.01   0.00     0.02   0.01  -0.01
    40   1     0.24   0.09  -0.08     0.04   0.01  -0.02    -0.07  -0.07  -0.11
    41   1     0.31   0.15  -0.26     0.04   0.01  -0.03     0.07  -0.13   0.03
    42   1     0.17   0.18   0.03     0.01   0.02  -0.00     0.06  -0.03   0.09
    43   1     0.07   0.08   0.02     0.00  -0.00  -0.00    -0.08   0.03   0.08
    44   1     0.08  -0.10  -0.06     0.01  -0.01  -0.01    -0.01   0.01  -0.01
    45   1     0.03  -0.01  -0.02     0.01   0.00   0.00    -0.02   0.00   0.02
    46   1     0.25  -0.06  -0.20     0.03  -0.01  -0.03     0.04   0.11   0.15
    47   1     0.46  -0.06  -0.16     0.06  -0.01  -0.02    -0.08   0.16  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1470.0922              1475.7145              1478.6908
 Red. masses --      2.0393                 2.2847                 2.0221
 Frc consts  --      2.5967                 2.9315                 2.6050
 IR Inten    --      2.9983                 4.9269                 2.8716
 RamAct Fr= 1--      3.8642                24.8279                21.2405
  Dep-P Fr= 1--      0.7458                 0.3600                 0.3477
  Dep-U Fr= 1--      0.8544                 0.5294                 0.5160
 Alpha2 Fr= 1--      0.0003                 0.2110                 0.1879
 Beta2  Fr= 1--      0.5502                 2.1906                 1.8267
 AlphaG Fr= 1--     -0.0102                 0.4623                -0.0070
 Gamma2 Fr= 1--     -1.8772               -17.0970                -3.2730
 Delta2 Fr= 1--      2.0224                -3.4294                -1.5365
 Raman1 Fr= 1--      15.457                 99.312                 84.962
 ROA1   Fr= 1--    -115.495              -1751.056               -363.372
 CID1   Fr= 1--      -7.472                -17.632                 -4.277
 Raman2 Fr= 1--       6.603                 26.287                 21.921
 ROA2   Fr= 1--     -61.232               -382.894                -66.259
 CID2   Fr= 1--      -9.273                -14.566                 -3.023
 Raman3 Fr= 1--      13.206                 52.574                 43.842
 ROA3   Fr= 1--    -115.495              -1751.056               -363.372
 CID3   Fr= 1--      -8.746                -33.306                 -8.288
 RC180  Fr= 1--       0.709                  0.059                  0.032
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.02     0.01   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.04  -0.03   0.05    -0.02  -0.04   0.03     0.01   0.00  -0.01
     3   6     0.03   0.02  -0.03     0.13  -0.04  -0.08    -0.01   0.00   0.01
     4   6     0.00  -0.04   0.04    -0.08   0.07  -0.01     0.01  -0.01   0.00
     5   6    -0.00  -0.00   0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
     6   6    -0.02  -0.01   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
     7   6    -0.01   0.00   0.00    -0.10   0.05   0.05     0.01  -0.00  -0.01
     8   6    -0.01  -0.03   0.03     0.03  -0.12   0.06    -0.00   0.01  -0.00
     9   6     0.03   0.04  -0.06    -0.02   0.16  -0.08     0.00  -0.01   0.01
    10   6    -0.00  -0.02   0.02     0.02  -0.04   0.04    -0.01   0.02  -0.00
    11   6     0.00   0.03   0.04     0.00   0.02   0.00    -0.03  -0.05  -0.01
    12   6     0.05  -0.11  -0.11     0.01   0.00  -0.01     0.06   0.14   0.04
    13   6    -0.07   0.07   0.09    -0.01   0.00   0.01    -0.02  -0.02   0.02
    14   6     0.06  -0.03  -0.07    -0.00  -0.01  -0.00    -0.12  -0.06   0.05
    15   6    -0.04  -0.01   0.01     0.00   0.00  -0.00     0.10   0.05  -0.04
    16   6    -0.00   0.08   0.06    -0.00  -0.00   0.00    -0.03  -0.11  -0.04
    17   6     0.03  -0.04  -0.04     0.00  -0.01  -0.00     0.01  -0.03  -0.02
    18   6    -0.01   0.00   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    19   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.04   0.00  -0.02
    20   6    -0.02   0.04   0.03     0.00   0.01   0.00     0.06   0.07   0.00
    21  40     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.02   0.03  -0.00    -0.04   0.20  -0.09     0.00  -0.01   0.01
    25   1    -0.02   0.01   0.01     0.15  -0.07  -0.07    -0.02   0.01   0.00
    26   1     0.01   0.01  -0.01     0.01   0.09  -0.02    -0.01   0.03   0.00
    27   1     0.00   0.01  -0.01    -0.03   0.02  -0.10    -0.01   0.00  -0.02
    28   1     0.08   0.08   0.09    -0.02   0.03  -0.01    -0.01  -0.01  -0.01
    29   1     0.11   0.05  -0.09    -0.02   0.03  -0.00    -0.01  -0.01   0.01
    30   1     0.04  -0.01  -0.02    -0.21   0.14   0.05     0.02  -0.01  -0.00
    31   1    -0.01  -0.02  -0.04     0.08   0.17   0.15    -0.01  -0.02  -0.01
    32   1     0.04   0.41  -0.05     0.01  -0.51   0.00    -0.00   0.06  -0.00
    33   1    -0.20   0.06  -0.35     0.39  -0.09   0.34    -0.05   0.01  -0.04
    34   1     0.01  -0.02  -0.04     0.10  -0.09  -0.12     0.10  -0.07  -0.02
    35   1    -0.06   0.07  -0.07    -0.11  -0.07  -0.12    -0.04  -0.11  -0.01
    36   1    -0.15  -0.02  -0.16     0.02  -0.11   0.00    -0.00   0.01   0.03
    37   1     0.12   0.10  -0.11    -0.08  -0.06   0.00     0.02  -0.00   0.02
    38   1    -0.06  -0.12  -0.04    -0.00   0.01   0.01     0.02   0.18   0.10
    39   1    -0.01  -0.01   0.01    -0.01  -0.00   0.01    -0.17  -0.07   0.08
    40   1     0.10   0.08   0.13     0.03   0.03   0.04     0.05   0.13   0.23
    41   1    -0.07   0.17  -0.05    -0.01   0.06  -0.02    -0.09   0.24  -0.05
    42   1    -0.08   0.06  -0.15    -0.01   0.03  -0.04    -0.02   0.08  -0.09
    43   1     0.14  -0.06  -0.14     0.04  -0.01  -0.03     0.13   0.00  -0.08
    44   1     0.02  -0.03  -0.00     0.02  -0.02   0.02     0.18  -0.12   0.24
    45   1     0.02  -0.01  -0.02     0.03   0.01  -0.01     0.29   0.14  -0.05
    46   1    -0.07  -0.20  -0.28    -0.03  -0.05  -0.07    -0.17  -0.24  -0.34
    47   1     0.15  -0.30   0.08     0.02  -0.08   0.03    -0.00  -0.40   0.20
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1482.5548              1484.5993              1490.4765
 Red. masses --      1.1201                 1.1029                 1.2614
 Frc consts  --      1.4506                 1.4322                 1.6511
 IR Inten    --      7.9749                10.1178                 2.4902
 RamAct Fr= 1--      6.5457                 8.0118                 4.5570
  Dep-P Fr= 1--      0.6906                 0.6715                 0.6865
  Dep-U Fr= 1--      0.8170                 0.8035                 0.8141
 Alpha2 Fr= 1--      0.0068                 0.0111                 0.0051
 Beta2  Fr= 1--      0.8913                 1.0729                 0.6183
 AlphaG Fr= 1--     -0.0965                -0.1088                -0.0276
 Gamma2 Fr= 1--      2.1384                -5.0064                 0.6940
 Delta2 Fr= 1--      1.7289                -0.1820                -0.3932
 Raman1 Fr= 1--      26.183                 32.047                 18.228
 ROA1   Fr= 1--     260.605               -486.434                 54.039
 CID1   Fr= 1--       9.953                -15.179                  2.965
 Raman2 Fr= 1--      10.696                 12.874                  7.420
 ROA2   Fr= 1--      37.490               -118.697                 19.801
 CID2   Fr= 1--       3.505                 -9.220                  2.669
 Raman3 Fr= 1--      21.391                 25.749                 14.839
 ROA3   Fr= 1--     260.605               -486.434                 54.039
 CID3   Fr= 1--      12.183                -18.892                  3.642
 RC180  Fr= 1--       0.634                  0.607                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.05    -0.01   0.01  -0.01     0.00   0.02  -0.03
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02   0.04
     3   6     0.02  -0.02  -0.01    -0.00  -0.00   0.00    -0.02   0.05  -0.02
     4   6    -0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     6   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
     7   6    -0.02   0.01   0.02     0.00   0.00  -0.00     0.02  -0.02  -0.00
     8   6     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.01
     9   6    -0.01  -0.00   0.01    -0.00   0.01  -0.01     0.04  -0.03  -0.01
    10   6    -0.00   0.02   0.01     0.00  -0.01  -0.00    -0.02   0.05   0.03
    11   6    -0.00  -0.03   0.01     0.00   0.01   0.00    -0.01  -0.05   0.03
    12   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.02   0.02   0.00
    13   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
    14   6    -0.01  -0.01  -0.00    -0.02  -0.01   0.00     0.00  -0.02  -0.02
    15   6     0.00   0.00   0.00     0.02   0.00  -0.01     0.00   0.01   0.01
    16   6    -0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.00  -0.01  -0.01
    17   6    -0.00  -0.01  -0.00    -0.00  -0.06  -0.02     0.01   0.00  -0.00
    18   6     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01  -0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.02    -0.00  -0.01   0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.00  -0.05   0.03
    25   1     0.05  -0.03  -0.03    -0.01   0.01   0.00    -0.06   0.02   0.04
    26   1    -0.00   0.54  -0.10     0.00  -0.14   0.03     0.03  -0.19   0.02
    27   1    -0.19   0.02  -0.52     0.05  -0.01   0.13     0.06  -0.00   0.18
    28   1    -0.05  -0.06  -0.06     0.02   0.02   0.02     0.08   0.09   0.10
    29   1    -0.08  -0.02   0.06     0.03   0.01  -0.02     0.10   0.07  -0.10
    30   1    -0.11   0.05   0.04     0.04  -0.02  -0.01     0.03  -0.02  -0.01
    31   1     0.04   0.06   0.09    -0.01  -0.02  -0.04    -0.02  -0.03  -0.01
    32   1     0.01   0.20  -0.03    -0.01  -0.01   0.00     0.01  -0.22   0.02
    33   1    -0.12   0.04  -0.15     0.00   0.00   0.01     0.16  -0.05   0.15
    34   1     0.10  -0.06  -0.12    -0.03   0.02   0.03     0.26  -0.18  -0.25
    35   1    -0.08  -0.17  -0.03     0.01   0.06  -0.00    -0.21  -0.31  -0.12
    36   1    -0.10   0.21  -0.05     0.01  -0.03   0.00    -0.21   0.36  -0.12
    37   1     0.15   0.08  -0.16    -0.02  -0.01   0.02     0.29   0.18  -0.27
    38   1    -0.00   0.02  -0.00    -0.01  -0.03  -0.01     0.01   0.03   0.02
    39   1    -0.01  -0.00   0.00    -0.04  -0.02   0.02    -0.01   0.00   0.01
    40   1     0.02   0.04   0.05     0.21   0.28   0.40    -0.02  -0.04  -0.04
    41   1    -0.01   0.07  -0.02    -0.19   0.49  -0.10     0.04  -0.05  -0.01
    42   1     0.01  -0.02   0.03    -0.02  -0.00  -0.03    -0.00   0.00  -0.00
    43   1    -0.02   0.01   0.03     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    44   1    -0.01   0.01  -0.01     0.06  -0.06   0.06    -0.05   0.05  -0.05
    45   1    -0.01  -0.00   0.00     0.10   0.04  -0.02    -0.07  -0.03   0.02
    46   1     0.06   0.11   0.14     0.14   0.24   0.31     0.04   0.06   0.07
    47   1    -0.01   0.17  -0.07    -0.04   0.37  -0.15     0.02   0.10  -0.05
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1495.7286              1496.6611              1498.6090
 Red. masses --      1.1339                 1.1499                 1.9165
 Frc consts  --      1.4946                 1.5176                 2.5359
 IR Inten    --      7.1123                 3.3916                 2.8680
 RamAct Fr= 1--      6.8825                15.2741                26.2560
  Dep-P Fr= 1--      0.7271                 0.5280                 0.1277
  Dep-U Fr= 1--      0.8420                 0.6911                 0.2265
 Alpha2 Fr= 1--      0.0027                 0.0657                 0.4293
 Beta2  Fr= 1--      0.9659                 1.7594                 0.9911
 AlphaG Fr= 1--      0.0008                -0.0717                -0.3169
 Gamma2 Fr= 1--     11.9678               -17.6840                 8.1092
 Delta2 Fr= 1--      6.0781                -5.2540                 3.5569
 Raman1 Fr= 1--      27.530                 61.097                105.024
 ROA1   Fr= 1--    1343.413              -1865.795                892.302
 CID1   Fr= 1--      48.798                -30.538                  8.496
 Raman2 Fr= 1--      11.590                 21.112                 11.893
 ROA2   Fr= 1--     238.603               -382.384                166.165
 CID2   Fr= 1--      20.587                -18.112                 13.971
 Raman3 Fr= 1--      23.180                 42.225                 23.787
 ROA3   Fr= 1--    1343.413              -1865.795                892.302
 CID3   Fr= 1--      57.954                -44.187                 37.512
 RC180  Fr= 1--       0.684                  0.382                 -0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01     0.00   0.01  -0.01     0.02  -0.00  -0.01
     2   6    -0.01   0.00   0.01     0.00  -0.01   0.00    -0.03  -0.03   0.06
     3   6    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.04   0.07  -0.02
     4   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
     5   6     0.01  -0.02  -0.02    -0.01   0.02   0.02     0.00   0.00  -0.01
     6   6    -0.04  -0.03  -0.00     0.04   0.03   0.00     0.00  -0.01   0.00
     7   6     0.00  -0.01   0.01    -0.00   0.01  -0.00     0.04  -0.03  -0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.02   0.01    -0.02   0.05  -0.02
     9   6     0.02  -0.03   0.00    -0.01   0.03  -0.01     0.05  -0.07   0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.02    -0.02   0.05   0.02
    11   6     0.00  -0.00   0.00     0.01   0.01   0.01     0.03   0.05  -0.02
    12   6    -0.02  -0.03  -0.00    -0.02  -0.04  -0.01    -0.08  -0.06   0.02
    13   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.06  -0.06  -0.09
    14   6    -0.00   0.01   0.01     0.02   0.02   0.00     0.04   0.10   0.04
    15   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.00    -0.05  -0.04   0.01
    16   6     0.00   0.02   0.01     0.01   0.03   0.01     0.03   0.05   0.01
    17   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.01   0.03
    18   6     0.01   0.01  -0.03     0.01   0.01  -0.03    -0.01  -0.01   0.02
    19   6    -0.04   0.01  -0.02    -0.04   0.01  -0.01    -0.01   0.01   0.01
    20   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.01  -0.06   0.03    -0.02   0.05  -0.02     0.01  -0.10   0.06
    25   1    -0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.08   0.02   0.06
    26   1     0.02   0.07  -0.02    -0.01  -0.09   0.02     0.00   0.15  -0.04
    27   1    -0.03  -0.00  -0.06     0.04   0.00   0.09    -0.07   0.02  -0.14
    28   1     0.25   0.16   0.24    -0.27  -0.17  -0.26    -0.04  -0.00  -0.02
    29   1     0.25   0.15  -0.24    -0.27  -0.16   0.26    -0.03   0.00   0.02
    30   1    -0.18   0.13   0.03     0.21  -0.15  -0.04    -0.09   0.04   0.03
    31   1     0.05   0.09   0.19    -0.05  -0.10  -0.22     0.01   0.02   0.12
    32   1    -0.01  -0.07   0.02     0.02   0.03  -0.02     0.02  -0.13   0.00
    33   1     0.05  -0.02   0.05    -0.01   0.01  -0.02     0.11  -0.04   0.08
    34   1    -0.10   0.07   0.10     0.09  -0.06  -0.12     0.20  -0.12  -0.24
    35   1     0.06   0.15   0.03    -0.08  -0.13  -0.05    -0.18  -0.25  -0.09
    36   1    -0.02   0.08  -0.01    -0.04   0.08  -0.03     0.17  -0.16   0.11
    37   1     0.05   0.03  -0.05     0.05   0.03  -0.07    -0.19  -0.11   0.20
    38   1    -0.02  -0.06  -0.03    -0.01  -0.06  -0.03    -0.00  -0.10  -0.07
    39   1    -0.00  -0.01  -0.00     0.02   0.00  -0.01     0.12   0.03  -0.08
    40   1    -0.03  -0.03  -0.03    -0.02  -0.02  -0.03     0.10   0.14   0.18
    41   1     0.01  -0.04   0.01     0.03  -0.03  -0.01    -0.06   0.25  -0.05
    42   1     0.06  -0.19   0.25     0.05  -0.17   0.22    -0.03   0.17  -0.19
    43   1    -0.20   0.12   0.23    -0.17   0.11   0.21     0.17  -0.06  -0.16
    44   1     0.24  -0.22   0.21     0.22  -0.21   0.18     0.08  -0.09   0.03
    45   1     0.34   0.18  -0.05     0.31   0.16  -0.05     0.10   0.03  -0.04
    46   1     0.01  -0.02  -0.03     0.01  -0.02  -0.04    -0.10  -0.12  -0.12
    47   1    -0.01  -0.03   0.01    -0.00  -0.04   0.01    -0.05  -0.20   0.09
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1502.2631              1504.5255              1505.3799
 Red. masses --      2.0330                 1.1000                 1.1509
 Frc consts  --      2.7032                 1.4671                 1.5366
 IR Inten    --      9.3296                10.9282                 2.8736
 RamAct Fr= 1--      6.6376                 2.2698                 3.6627
  Dep-P Fr= 1--      0.3994                 0.1849                 0.4896
  Dep-U Fr= 1--      0.5708                 0.3121                 0.6574
 Alpha2 Fr= 1--      0.0493                 0.0321                 0.0190
 Beta2  Fr= 1--      0.6314                 0.1181                 0.4013
 AlphaG Fr= 1--      0.0490                -0.0170                -0.1454
 Gamma2 Fr= 1--     -1.8778                 0.8421                -2.5678
 Delta2 Fr= 1--      2.2895                -0.5319                -0.8287
 Raman1 Fr= 1--      26.550                  9.079                 14.651
 ROA1   Fr= 1--    -107.000                 63.823               -273.032
 CID1   Fr= 1--      -4.030                  7.029                -18.636
 Raman2 Fr= 1--       7.577                  1.417                  4.815
 ROA2   Fr= 1--     -63.383                 24.466                -54.999
 CID2   Fr= 1--      -8.365                 17.269                -11.421
 Raman3 Fr= 1--      15.154                  2.834                  9.631
 ROA3   Fr= 1--    -107.000                 63.823               -273.032
 CID3   Fr= 1--      -7.061                 22.524                -28.349
 RC180  Fr= 1--       0.142                 -0.376                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03     0.00   0.00  -0.00     0.01  -0.02   0.02
     2   6    -0.08  -0.06   0.11    -0.00  -0.00   0.01     0.01  -0.01   0.00
     3   6    -0.03   0.10  -0.05    -0.01   0.01  -0.00    -0.01   0.01  -0.00
     4   6     0.00  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.03     0.00  -0.00  -0.01    -0.02   0.04   0.03
     6   6     0.04   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.01
     7   6     0.04  -0.04  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     8   6    -0.03   0.05  -0.01    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.09  -0.06  -0.04     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.01  -0.00    -0.00   0.01   0.00    -0.00   0.02   0.00
    11   6    -0.01   0.02  -0.01     0.00   0.00  -0.00     0.00   0.03  -0.01
    12   6     0.07   0.02  -0.05    -0.00   0.00   0.00     0.03   0.00  -0.03
    13   6    -0.06   0.05   0.08     0.00  -0.01  -0.00    -0.03   0.02   0.04
    14   6    -0.02  -0.08  -0.04    -0.01   0.01   0.01     0.00  -0.03  -0.02
    15   6     0.03   0.03  -0.00     0.01  -0.00  -0.01     0.01   0.01   0.00
    16   6    -0.02  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.00
    17   6     0.02  -0.00  -0.02    -0.00  -0.03  -0.01     0.01  -0.00  -0.01
    18   6     0.01   0.01  -0.00     0.02   0.00  -0.06     0.00   0.00  -0.01
    19   6    -0.01  -0.01  -0.01     0.05   0.00   0.01     0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.01   0.02   0.01    -0.00   0.00   0.00
    21  40     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.12   0.08     0.00  -0.01   0.01    -0.00   0.00  -0.00
    25   1    -0.11   0.03   0.08    -0.01   0.01   0.01    -0.02   0.01   0.01
    26   1    -0.00   0.11  -0.03     0.00  -0.01   0.00    -0.02   0.26  -0.04
    27   1    -0.04   0.02  -0.10     0.00   0.00   0.01    -0.10   0.01  -0.25
    28   1    -0.25  -0.13  -0.23    -0.02  -0.01  -0.02     0.14   0.11   0.16
    29   1    -0.25  -0.12   0.21    -0.02  -0.01   0.02     0.17   0.11  -0.15
    30   1    -0.23   0.12   0.07    -0.05   0.03   0.01     0.40  -0.27  -0.10
    31   1     0.06   0.09   0.24     0.01   0.02   0.06    -0.13  -0.23  -0.39
    32   1     0.05  -0.10  -0.02     0.00  -0.00  -0.00     0.00  -0.14   0.01
    33   1     0.14  -0.06   0.03     0.01  -0.00  -0.00     0.09  -0.02   0.11
    34   1    -0.05   0.02   0.12     0.03  -0.02  -0.02     0.07  -0.04  -0.08
    35   1     0.02   0.20  -0.01    -0.02  -0.02  -0.02    -0.05  -0.11  -0.01
    36   1     0.07  -0.32   0.02     0.02  -0.02   0.01     0.09  -0.28   0.04
    37   1    -0.13  -0.06   0.22    -0.02  -0.01   0.03    -0.16  -0.09   0.18
    38   1    -0.01   0.06   0.05    -0.00  -0.00  -0.00    -0.00   0.03   0.02
    39   1    -0.10  -0.03   0.06    -0.00  -0.01  -0.00    -0.03  -0.00   0.02
    40   1    -0.04  -0.08  -0.11     0.10   0.14   0.20    -0.00  -0.02  -0.03
    41   1     0.04  -0.14   0.02    -0.09   0.24  -0.06     0.02  -0.03  -0.01
    42   1    -0.01  -0.07   0.06     0.12  -0.27   0.36     0.01  -0.07   0.07
    43   1    -0.06   0.00   0.04    -0.31   0.17   0.35    -0.07   0.03   0.07
    44   1     0.01  -0.00   0.04    -0.21   0.20  -0.22    -0.00   0.00  -0.00
    45   1     0.03   0.03   0.01    -0.34  -0.17   0.05    -0.00   0.00   0.00
    46   1     0.10   0.12   0.13    -0.08  -0.12  -0.16     0.03   0.03   0.03
    47   1     0.05   0.20  -0.09     0.02  -0.19   0.08     0.03   0.05  -0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1506.3614              1526.3036              1526.8891
 Red. masses --      1.3997                 4.3122                 4.1883
 Frc consts  --      1.8713                 5.9187                 5.7532
 IR Inten    --      1.1865                 8.0046                 2.8369
 RamAct Fr= 1--     14.3125                 2.5681                15.8263
  Dep-P Fr= 1--      0.6949                 0.7438                 0.7237
  Dep-U Fr= 1--      0.8200                 0.8531                 0.8397
 Alpha2 Fr= 1--      0.0138                 0.0003                 0.0072
 Beta2  Fr= 1--      1.9560                 0.3651                 2.2149
 AlphaG Fr= 1--      0.1798                 0.0002                 0.1224
 Gamma2 Fr= 1--      7.2331                 5.2795                -7.8671
 Delta2 Fr= 1--      4.4178                 2.2421                -4.0954
 Raman1 Fr= 1--      57.250                 10.272                 63.305
 ROA1   Fr= 1--     835.746                578.574               -886.295
 CID1   Fr= 1--      14.598                 56.324                -14.000
 Raman2 Fr= 1--      23.472                  4.382                 26.579
 ROA2   Fr= 1--     138.251                108.771               -156.048
 CID2   Fr= 1--       5.890                 24.824                 -5.871
 Raman3 Fr= 1--      46.944                  8.763                 53.158
 ROA3   Fr= 1--     835.746                578.574               -886.295
 CID3   Fr= 1--      17.803                 66.022                -16.673
 RC180  Fr= 1--       0.640                  0.706                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00  -0.01     0.04  -0.01  -0.02    -0.03   0.01   0.02
     2   6    -0.05  -0.03   0.07    -0.11   0.12   0.02     0.10  -0.12  -0.00
     3   6     0.02   0.04  -0.05     0.18  -0.09  -0.08    -0.18   0.10   0.07
     4   6    -0.02   0.01   0.01    -0.06   0.03   0.03     0.06  -0.03  -0.03
     5   6    -0.01   0.03   0.02    -0.00   0.00   0.01     0.00   0.00  -0.01
     6   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
     7   6    -0.00  -0.02   0.01    -0.12   0.02   0.10     0.12  -0.02  -0.10
     8   6    -0.01   0.01   0.00     0.01   0.08  -0.08    -0.02  -0.08   0.08
     9   6     0.05  -0.00  -0.05     0.06  -0.14   0.04    -0.05   0.14  -0.05
    10   6     0.00  -0.05  -0.01    -0.02   0.04  -0.02     0.02  -0.06   0.01
    11   6    -0.00  -0.04   0.01    -0.02  -0.04  -0.02    -0.02  -0.05  -0.01
    12   6    -0.03   0.00   0.03     0.07   0.14   0.03     0.06   0.13   0.04
    13   6     0.04  -0.02  -0.05    -0.13  -0.11   0.02    -0.11  -0.10   0.01
    14   6    -0.02   0.02   0.03     0.19   0.08  -0.09     0.18   0.08  -0.08
    15   6     0.01  -0.01  -0.01    -0.13  -0.01   0.10    -0.13  -0.02   0.10
    16   6     0.01   0.00  -0.00     0.01  -0.08  -0.07     0.02  -0.08  -0.07
    17   6    -0.01  -0.00   0.01     0.04   0.01  -0.02     0.04   0.01  -0.02
    18   6    -0.00  -0.00   0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    19   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    20   6     0.01   0.01  -0.01    -0.07  -0.02   0.02    -0.06  -0.02   0.02
    21  40    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.05   0.04     0.11  -0.26   0.10    -0.11   0.25  -0.09
    25   1    -0.02  -0.01   0.03     0.27  -0.19  -0.11    -0.28   0.20   0.12
    26   1     0.00   0.16  -0.04    -0.05  -0.11   0.04     0.04   0.14  -0.05
    27   1    -0.05   0.01  -0.16    -0.10  -0.03   0.22     0.09   0.03  -0.25
    28   1    -0.06  -0.01  -0.04    -0.01  -0.02  -0.02    -0.00   0.02   0.01
    29   1    -0.04  -0.00   0.03    -0.02  -0.02   0.02     0.01   0.02  -0.01
    30   1     0.24  -0.18  -0.05     0.09  -0.04  -0.03    -0.08   0.03   0.03
    31   1    -0.08  -0.13  -0.24    -0.01  -0.02  -0.13     0.01   0.01   0.12
    32   1     0.04  -0.14  -0.02     0.01   0.06  -0.03    -0.01  -0.06   0.03
    33   1     0.14  -0.04   0.07    -0.00   0.02  -0.07     0.01  -0.02   0.07
    34   1    -0.25   0.15   0.30    -0.02   0.02   0.07    -0.08   0.02   0.13
    35   1     0.15   0.46   0.03     0.03   0.05   0.03     0.06   0.14   0.01
    36   1    -0.09   0.33  -0.02     0.03  -0.07   0.03    -0.04   0.07  -0.01
    37   1     0.18   0.09  -0.20    -0.02  -0.02   0.08     0.04  -0.00  -0.09
    38   1    -0.00  -0.03  -0.03     0.11   0.26   0.10     0.10   0.24   0.09
    39   1     0.00  -0.01  -0.01     0.29   0.19  -0.09     0.28   0.19  -0.09
    40   1     0.02   0.04   0.06    -0.02   0.07   0.16    -0.03   0.05   0.14
    41   1    -0.04   0.07   0.01    -0.18   0.14   0.07    -0.16   0.11   0.08
    42   1    -0.01   0.06  -0.06     0.02  -0.02   0.04     0.02  -0.01   0.03
    43   1     0.06  -0.02  -0.05    -0.03   0.03   0.05    -0.02   0.02   0.03
    44   1    -0.04   0.05  -0.04     0.09  -0.10   0.03     0.08  -0.09   0.04
    45   1    -0.07  -0.04   0.01     0.10   0.03  -0.03     0.10   0.04  -0.03
    46   1    -0.05  -0.04  -0.04     0.00  -0.03  -0.02     0.00  -0.03  -0.02
    47   1    -0.04  -0.08   0.05     0.06  -0.03  -0.03     0.05  -0.03  -0.03
                    112                    113                    114
                      A                      A                      A
 Frequencies --   2995.4055              3011.2412              3012.1529
 Red. masses --      1.0732                 1.0713                 1.0691
 Frc consts  --      5.6732                 5.7232                 5.7152
 IR Inten    --     26.6144                27.2367                36.9672
 RamAct Fr= 1--    203.6434               213.7678               163.3370
  Dep-P Fr= 1--      0.2085                 0.2356                 0.1654
  Dep-U Fr= 1--      0.3450                 0.3813                 0.2839
 Alpha2 Fr= 1--      2.7037                 2.6370                 2.4275
 Beta2  Fr= 1--     11.7107                13.5864                 7.7282
 AlphaG Fr= 1--     -3.8851                 2.0327                -0.6159
 Gamma2 Fr= 1--     -8.7439                 1.3373                -5.3273
 Delta2 Fr= 1--      9.2944                -8.9019                 0.1787
 Raman1 Fr= 1--     814.574                855.071                653.348
 ROA1   Fr= 1--    -541.993               -156.479               -505.707
 CID1   Fr= 1--      -0.665                 -0.183                 -0.774
 Raman2 Fr= 1--     140.529                163.037                 92.738
 ROA2   Fr= 1--    -284.208                103.310               -129.286
 CID2   Fr= 1--      -2.022                  0.634                 -1.394
 Raman3 Fr= 1--     281.058                326.074                185.476
 ROA3   Fr= 1--    -541.993               -156.479               -505.707
 CID3   Fr= 1--      -1.928                 -0.480                 -2.727
 RC180  Fr= 1--      -0.310                 -0.237                 -0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.04   0.01  -0.06    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.03  -0.07   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05  -0.04   0.04
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    21  40    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.02     0.00   0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    29   1    -0.00  -0.00  -0.00    -0.02  -0.01  -0.03    -0.01  -0.00  -0.01
    30   1     0.00   0.00   0.00    -0.04  -0.03  -0.07    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.08   0.04   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00     0.61   0.09   0.74     0.02   0.00   0.02
    33   1     0.00   0.00   0.00    -0.06  -0.20  -0.03    -0.00  -0.01  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    38   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    39   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    40   1    -0.44   0.78  -0.38    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    41   1     0.09   0.03   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.01
    42   1     0.05  -0.04  -0.04    -0.00   0.00   0.00     0.04  -0.02  -0.03
    43   1     0.04  -0.06   0.06    -0.00   0.00  -0.00     0.05  -0.09   0.08
    44   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.20  -0.18   0.10
    45   1     0.01  -0.01   0.01     0.01  -0.02   0.02    -0.35   0.62  -0.60
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.09   0.06
    47   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.03   0.08
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3015.3944              3021.3914              3026.9659
 Red. masses --      1.0697                 1.0599                 1.0674
 Frc consts  --      5.7304                 5.7005                 5.7622
 IR Inten    --     25.7680                17.1308                18.0274
 RamAct Fr= 1--    203.8936                29.0794                68.1725
  Dep-P Fr= 1--      0.1138                 0.0946                 0.6859
  Dep-U Fr= 1--      0.2044                 0.1728                 0.8137
 Alpha2 Fr= 1--      3.4504                 0.5159                 0.0768
 Beta2  Fr= 1--      6.9465                 0.8376                 9.2450
 AlphaG Fr= 1--      0.1970                -0.6112                 0.1076
 Gamma2 Fr= 1--      3.4791               -10.2847                34.1382
 Delta2 Fr= 1--     -3.6644                 0.5276                -2.0722
 Raman1 Fr= 1--     815.575                116.318                272.690
 ROA1   Fr= 1--     216.737               -970.452               3210.954
 CID1   Fr= 1--       0.266                 -8.343                 11.775
 Raman2 Fr= 1--      83.358                 10.051                110.940
 ROA2   Fr= 1--     112.815               -251.054                835.894
 CID2   Fr= 1--       1.353                -24.979                  7.535
 Raman3 Fr= 1--     166.716                 20.101                221.881
 ROA3   Fr= 1--     216.737               -970.452               3210.954
 CID3   Fr= 1--       1.300                -48.278                 14.472
 RC180  Fr= 1--      -0.591                 -0.654                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.02   0.03  -0.05    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.04    -0.02  -0.01  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.02
    11   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.04  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.16  -0.09  -0.37     0.28   0.17   0.67     0.04   0.03   0.10
    27   1    -0.00  -0.00   0.01    -0.03  -0.52  -0.05    -0.00  -0.06  -0.01
    28   1     0.13   0.07  -0.23     0.13   0.07  -0.21     0.02   0.01  -0.03
    29   1     0.39   0.32   0.70     0.12   0.10   0.23     0.01   0.01   0.02
    30   1    -0.05  -0.04  -0.09    -0.02  -0.01  -0.03    -0.00  -0.00  -0.00
    31   1    -0.06   0.02   0.00    -0.03   0.01   0.00    -0.01   0.00   0.00
    32   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.07  -0.08  -0.01     0.50   0.56   0.07
    35   1     0.00  -0.00  -0.00     0.02  -0.00  -0.02    -0.18   0.03   0.14
    36   1    -0.01  -0.00   0.01     0.05   0.01  -0.04    -0.17  -0.02   0.13
    37   1     0.01  -0.01   0.00    -0.05   0.05  -0.01     0.36  -0.41   0.06
    38   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    42   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    43   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3035.3415              3039.4306              3040.7974
 Red. masses --      1.0701                 1.0616                 1.0602
 Frc consts  --      5.8089                 5.7784                 5.7756
 IR Inten    --     64.6112                14.4282                27.5564
 RamAct Fr= 1--    380.1976               163.3743                96.1505
  Dep-P Fr= 1--      0.1336                 0.0313                 0.7465
  Dep-U Fr= 1--      0.2357                 0.0608                 0.8548
 Alpha2 Fr= 1--      6.1257                 3.3731                 0.0057
 Beta2  Fr= 1--     14.9346                 1.6549                13.6988
 AlphaG Fr= 1--      4.2355                 2.7878                -0.1441
 Gamma2 Fr= 1--     -1.3511               -10.7140                19.1036
 Delta2 Fr= 1--      8.4811               -11.8678                 1.2013
 Raman1 Fr= 1--    1520.791                653.497                384.602
 ROA1   Fr= 1--     141.685              -1408.315               1872.389
 CID1   Fr= 1--       0.093                 -2.155                  4.868
 Raman2 Fr= 1--     179.215                 19.858                164.386
 ROA2   Fr= 1--    -100.276               -162.194                448.877
 CID2   Fr= 1--      -0.560                 -8.168                  2.731
 Raman3 Fr= 1--     358.430                 39.717                328.772
 ROA3   Fr= 1--     141.685              -1408.315               1872.389
 CID3   Fr= 1--       0.395                -35.459                  5.695
 RC180  Fr= 1--      -0.529                 -0.878                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.02  -0.04  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.03  -0.05   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    18   6    -0.00   0.00  -0.00    -0.01  -0.00   0.03    -0.02  -0.01   0.05
    19   6     0.00  -0.00   0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01     0.00   0.04   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.02   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    34   1     0.38   0.42   0.06     0.01   0.01   0.00     0.02   0.03   0.00
    35   1    -0.11   0.02   0.08     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    36   1     0.19   0.03  -0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.50   0.57  -0.09     0.00  -0.00   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    41   1    -0.02  -0.01  -0.03     0.06   0.03   0.09     0.09   0.06   0.15
    42   1    -0.01   0.00   0.00     0.26  -0.18  -0.18     0.43  -0.30  -0.29
    43   1     0.01  -0.01   0.01    -0.14   0.23  -0.20    -0.23   0.37  -0.33
    44   1     0.00   0.00  -0.00    -0.19  -0.15   0.08    -0.06  -0.05   0.03
    45   1    -0.00   0.00  -0.00     0.02  -0.02   0.02    -0.00   0.01  -0.01
    46   1    -0.00   0.01  -0.01    -0.14   0.46  -0.34     0.09  -0.31   0.23
    47   1     0.00   0.00   0.01     0.21   0.18   0.49    -0.14  -0.12  -0.32
                    121                    122                    123
                      A                      A                      A
 Frequencies --   3045.2407              3052.5407              3063.0044
 Red. masses --      1.0627                 1.0968                 1.0877
 Frc consts  --      5.8064                 6.0215                 6.0127
 IR Inten    --     22.2354                28.4584                30.9031
 RamAct Fr= 1--    138.3742                87.5412                28.6490
  Dep-P Fr= 1--      0.2788                 0.2048                 0.2195
  Dep-U Fr= 1--      0.4360                 0.3400                 0.3600
 Alpha2 Fr= 1--      1.5107                 1.1738                 0.3693
 Beta2  Fr= 1--     10.0558                 4.9600                 1.7188
 AlphaG Fr= 1--     -0.1809                -2.0969                -0.0943
 Gamma2 Fr= 1--    -34.2917               -13.4527                 2.6927
 Delta2 Fr= 1--     -3.7621                -2.3744                 3.2625
 Raman1 Fr= 1--     553.497                350.165                114.596
 ROA1   Fr= 1--   -3412.393              -1367.441                362.897
 CID1   Fr= 1--      -6.165                 -3.905                  3.167
 Raman2 Fr= 1--     120.669                 59.520                 20.625
 ROA2   Fr= 1--    -792.904               -303.870                 38.524
 CID2   Fr= 1--      -6.571                 -5.105                  1.868
 Raman3 Fr= 1--     241.339                119.040                 41.251
 ROA3   Fr= 1--   -3412.393              -1367.441                362.897
 CID3   Fr= 1--     -14.139                -11.487                  8.797
 RC180  Fr= 1--      -0.128                 -0.320                 -0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02  -0.08  -0.04     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.03   0.04   0.04     0.00   0.00   0.01    -0.00   0.00   0.00
     6   6     0.01   0.00  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04  -0.02  -0.06
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    20   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    21  40     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01   0.01   0.03     0.17   0.08   0.40     0.00   0.00   0.00
    27   1    -0.00  -0.04  -0.00     0.03   0.84   0.06     0.00  -0.01  -0.00
    28   1    -0.15  -0.07   0.23     0.12   0.06  -0.19     0.01   0.00  -0.01
    29   1     0.04   0.03   0.06     0.06   0.05   0.12    -0.00  -0.00  -0.00
    30   1    -0.32  -0.22  -0.49    -0.05  -0.03  -0.08    -0.00  -0.00  -0.00
    31   1     0.66  -0.26  -0.00     0.01  -0.01   0.00     0.00  -0.00  -0.00
    32   1     0.02  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1     0.02   0.10   0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
    34   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.07   0.01
    35   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.16  -0.04  -0.13
    36   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.07  -0.01   0.06
    37   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.03  -0.01
    38   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.10   0.03
    41   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.47   0.28   0.71
    42   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.17   0.11   0.12
    43   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    44   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.15   0.12  -0.07
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.04  -0.04
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.05   0.03
    47   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.04   0.04   0.10
                    124                    125                    126
                      A                      A                      A
 Frequencies --   3067.9194              3068.9914              3074.6885
 Red. masses --      1.0934                 1.0960                 1.1012
 Frc consts  --      6.0632                 6.0819                 6.1334
 IR Inten    --     36.3904                57.1642                31.2081
 RamAct Fr= 1--    250.1791               240.5998               143.2590
  Dep-P Fr= 1--      0.1813                 0.2712                 0.4387
  Dep-U Fr= 1--      0.3070                 0.4267                 0.6099
 Alpha2 Fr= 1--      3.5685                 2.6849                 0.9184
 Beta2  Fr= 1--     12.7995                17.1110                14.5615
 AlphaG Fr= 1--      0.7654                -0.0015                 0.4741
 Gamma2 Fr= 1--     28.6863                32.8212               -28.1848
 Delta2 Fr= 1--     15.8445                11.8906               -21.4373
 Raman1 Fr= 1--    1000.716                962.399                573.036
 ROA1   Fr= 1--    3260.906               3531.336              -3391.739
 CID1   Fr= 1--       3.259                  3.669                 -5.919
 Raman2 Fr= 1--     153.594                205.332                174.739
 ROA2   Fr= 1--     561.714                692.585               -504.938
 CID2   Fr= 1--       3.657                  3.373                 -2.890
 Raman3 Fr= 1--     307.188                410.664                349.477
 ROA3   Fr= 1--    3260.906               3531.336              -3391.739
 CID3   Fr= 1--      10.615                  8.599                 -9.705
 RC180  Fr= 1--      -0.386                 -0.147                  0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01  -0.01  -0.02    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.02   0.01  -0.08     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.01   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6    -0.01   0.00   0.01     0.00  -0.00   0.00    -0.03   0.03   0.00
    19   6    -0.04  -0.04   0.02    -0.00  -0.00   0.00    -0.03  -0.04   0.02
    20   6    -0.02   0.01  -0.05    -0.00   0.00  -0.00     0.02  -0.02   0.06
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.01     0.08   0.04   0.18     0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00     0.00   0.07   0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.01  -0.01    -0.45  -0.23   0.67    -0.00  -0.00   0.01
    29   1    -0.00  -0.00  -0.01     0.16   0.13   0.26     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00   0.00   0.00
    31   1     0.01  -0.00  -0.00    -0.32   0.13   0.01     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.03  -0.00  -0.03    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00   0.00    -0.01  -0.04  -0.00    -0.00  -0.01  -0.00
    34   1    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   1    -0.04   0.01   0.04    -0.01   0.00   0.01     0.03  -0.01  -0.03
    36   1     0.03   0.01  -0.02     0.01   0.00  -0.01    -0.03  -0.01   0.02
    37   1     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    40   1    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
    41   1    -0.10  -0.06  -0.15     0.01   0.00   0.01     0.02   0.01   0.03
    42   1     0.14  -0.10  -0.10    -0.00   0.00   0.00     0.25  -0.17  -0.19
    43   1    -0.04   0.06  -0.05    -0.00   0.01  -0.00     0.09  -0.15   0.14
    44   1     0.52   0.40  -0.22     0.01   0.01  -0.01     0.39   0.31  -0.17
    45   1    -0.05   0.06  -0.06    -0.00   0.00  -0.00    -0.09   0.14  -0.13
    46   1     0.07  -0.27   0.18     0.00  -0.01   0.01    -0.12   0.44  -0.30
    47   1     0.20   0.19   0.48     0.01   0.01   0.02    -0.16  -0.15  -0.37
                    127                    128                    129
                      A                      A                      A
 Frequencies --   3076.6353              3076.7421              3082.6544
 Red. masses --      1.0915                 1.0901                 1.1040
 Frc consts  --      6.0871                 6.0797                 6.1814
 IR Inten    --      3.4640                16.0859                28.4309
 RamAct Fr= 1--     95.1592                78.2487                43.5627
  Dep-P Fr= 1--      0.1600                 0.3680                 0.7193
  Dep-U Fr= 1--      0.2759                 0.5380                 0.8367
 Alpha2 Fr= 1--      1.4340                 0.6473                 0.0230
 Beta2  Fr= 1--      4.3756                 7.0169                 6.0752
 AlphaG Fr= 1--     -0.6478                 1.2753                -0.0231
 Gamma2 Fr= 1--    -14.8154                -2.5012               -21.1966
 Delta2 Fr= 1--     -0.0970               -14.7667                -8.6294
 Raman1 Fr= 1--     380.637                312.995                174.251
 ROA1   Fr= 1--   -1425.377               -712.646              -2311.011
 CID1   Fr= 1--      -3.745                 -2.277                -13.263
 Raman2 Fr= 1--      52.508                 84.203                 72.902
 ROA2   Fr= 1--    -354.793                 58.106               -439.683
 CID2   Fr= 1--      -6.757                  0.690                 -6.031
 Raman3 Fr= 1--     105.015                168.407                145.804
 ROA3   Fr= 1--   -1425.377               -712.646              -2311.011
 CID3   Fr= 1--     -13.573                 -4.232                -15.850
 RC180  Fr= 1--      -0.448                  0.076                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.01   0.02   0.00    -0.02  -0.07  -0.01     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.04  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    11   6    -0.06   0.00   0.04    -0.02   0.00   0.01     0.01  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.06   0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    20   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.02
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02     0.00   0.00   0.00
    27   1     0.00   0.04   0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.00  -0.01     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   1     0.00   0.00   0.01    -0.03  -0.02  -0.05    -0.00  -0.00  -0.00
    30   1     0.02   0.02   0.04    -0.08  -0.06  -0.13    -0.00  -0.00  -0.00
    31   1     0.08  -0.03  -0.00    -0.24   0.10   0.01    -0.00   0.00   0.00
    32   1    -0.02   0.00  -0.03     0.09  -0.00   0.11    -0.00  -0.00  -0.00
    33   1    -0.06  -0.25  -0.02     0.21   0.86   0.07    -0.00  -0.00  -0.00
    34   1    -0.06  -0.08  -0.02    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    35   1    -0.40   0.09   0.33    -0.12   0.03   0.10     0.01  -0.00  -0.01
    36   1     0.55   0.11  -0.46     0.16   0.03  -0.13    -0.07  -0.01   0.05
    37   1     0.13  -0.17   0.03     0.04  -0.05   0.01    -0.02   0.02  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.05   0.11  -0.05
    41   1     0.10   0.06   0.16     0.03   0.02   0.05    -0.09  -0.05  -0.13
    42   1    -0.05   0.03   0.04    -0.01   0.01   0.01    -0.36   0.25   0.27
    43   1    -0.02   0.03  -0.03    -0.01   0.01  -0.01    -0.29   0.47  -0.44
    44   1     0.03   0.02  -0.01     0.02   0.01  -0.01     0.16   0.13  -0.07
    45   1    -0.01   0.02  -0.02    -0.01   0.01  -0.01    -0.10   0.15  -0.15
    46   1    -0.01   0.04  -0.03    -0.01   0.02  -0.01    -0.05   0.17  -0.12
    47   1    -0.02  -0.02  -0.04    -0.01  -0.01  -0.02    -0.06  -0.05  -0.14
                    130                    131                    132
                      A                      A                      A
 Frequencies --   3087.1262              3097.2284              3227.9493
 Red. masses --      1.1033                 1.0941                 1.0913
 Frc consts  --      6.1951                 6.1836                 6.6997
 IR Inten    --     28.4022                26.9588                 0.6192
 RamAct Fr= 1--     49.8898                34.9765                42.2581
  Dep-P Fr= 1--      0.6715                 0.6501                 0.4843
  Dep-U Fr= 1--      0.8035                 0.7879                 0.6526
 Alpha2 Fr= 1--      0.0694                 0.0628                 0.2241
 Beta2  Fr= 1--      6.6810                 4.5931                 4.5963
 AlphaG Fr= 1--     -0.0425                 0.0150                 0.0108
 Gamma2 Fr= 1--     23.8191                38.5588                 6.9750
 Delta2 Fr= 1--      9.2971                14.7826                 1.8571
 Raman1 Fr= 1--     199.559                139.906                169.032
 ROA1   Fr= 1--    2584.139               4174.692                729.024
 CID1   Fr= 1--      12.949                 29.839                  4.313
 Raman2 Fr= 1--      80.172                 55.117                 55.156
 ROA2   Fr= 1--     497.281                807.151                152.542
 CID2   Fr= 1--       6.203                 14.644                  2.766
 Raman3 Fr= 1--     160.343                110.235                110.312
 ROA3   Fr= 1--    2584.139               4174.692                729.024
 CID3   Fr= 1--      16.116                 37.871                  6.609
 RC180  Fr= 1--       0.607                  0.576                  0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.07  -0.01  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.06  -0.00   0.04    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.05   0.00   0.03    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.02
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.05
    17   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    18   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.03  -0.01  -0.03
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    26   1     0.03   0.01   0.06    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    27   1     0.00   0.04   0.00     0.00   0.02   0.00     0.00  -0.00   0.00
    28   1    -0.06  -0.03   0.09     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.09   0.08   0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1     0.36   0.27   0.59    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.48  -0.20  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.11   0.01   0.14    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1     0.07   0.28   0.02     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1     0.00   0.00   0.00     0.13   0.16   0.03     0.00   0.00   0.00
    35   1     0.00  -0.00  -0.00     0.57  -0.13  -0.48     0.00  -0.00  -0.00
    36   1     0.00   0.00  -0.00     0.42   0.09  -0.35     0.01   0.00  -0.00
    37   1     0.00  -0.00   0.00     0.13  -0.16   0.03    -0.00   0.00  -0.00
    38   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.74   0.12  -0.56
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.26   0.21
    40   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    41   1    -0.00  -0.00  -0.00    -0.07  -0.04  -0.11     0.00   0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   1    -0.00   0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.00   0.00
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --   3228.9573              3248.9682              3249.5368
 Red. masses --      1.0914                 1.0976                 1.0975
 Frc consts  --      6.7043                 6.8262                 6.8284
 IR Inten    --      0.2446                 0.0918                 0.1275
 RamAct Fr= 1--     45.4740                93.0768                93.7483
  Dep-P Fr= 1--      0.5005                 0.1686                 0.1645
  Dep-U Fr= 1--      0.6671                 0.2885                 0.2825
 Alpha2 Fr= 1--      0.2241                 1.3721                 1.3966
 Beta2  Fr= 1--      5.0558                 4.4761                 4.4145
 AlphaG Fr= 1--     -0.0206                -0.2288                -0.0995
 Gamma2 Fr= 1--     -1.3710                 0.8645                 3.5116
 Delta2 Fr= 1--     -3.4100                 0.4137                 1.3463
 Raman1 Fr= 1--     181.896                372.307                374.993
 ROA1   Fr= 1--    -240.732                 96.229                380.194
 CID1   Fr= 1--      -1.323                  0.258                  1.014
 Raman2 Fr= 1--      60.670                 53.713                 52.974
 ROA2   Fr= 1--      -5.623                 17.437                 73.508
 CID2   Fr= 1--      -0.093                  0.325                  1.388
 Raman3 Fr= 1--     121.339                107.427                105.949
 ROA3   Fr= 1--    -240.732                 96.229                380.194
 CID3   Fr= 1--      -1.984                  0.896                  3.588
 RC180  Fr= 1--       0.334                 -0.423                 -0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.02  -0.02    -0.00  -0.07   0.05    -0.00  -0.00   0.00
     8   6    -0.06   0.01   0.05    -0.03   0.01   0.02    -0.00   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.07  -0.05
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.01  -0.02
    17   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.71  -0.14  -0.58     0.27  -0.05  -0.22     0.00  -0.00  -0.00
    25   1    -0.02  -0.27   0.22     0.05   0.72  -0.58     0.00   0.01  -0.01
    26   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    38   1    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.26  -0.05   0.19
    39   1     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.06   0.74   0.58
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    41   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    43   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    44   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    45   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number 40 and mass  89.90430
 Atom    22 has atomic number 17 and mass  34.96885
 Atom    23 has atomic number 17 and mass  34.96885
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Molecular mass:   424.02981 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4791.519389383.12328**********
           X            0.99999  -0.00020  -0.00471
           Y            0.00021   0.99999   0.00321
           Z            0.00471  -0.00321   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01808     0.00923     0.00831
 Rotational constants (GHZ):           0.37665     0.19234     0.17314
 Zero-point vibrational energy    1036628.3 (Joules/Mol)
                                  247.76010 (Kcal/Mol)
 Warning -- explicit consideration of  35 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.44   109.83   128.20   140.05   172.23
          (Kelvin)            174.51   179.38   198.73   204.89   235.76
                              262.14   271.31   283.96   340.04   376.41
                              402.55   409.94   447.31   458.40   469.30
                              488.98   494.85   521.33   527.58   594.87
                              610.71   618.09   646.06   656.31   680.62
                              718.88   747.76   829.44   866.36   893.02
                              915.76   945.19   963.53   992.76  1001.92
                             1039.62  1068.10  1173.22  1177.62  1198.24
                             1202.02  1243.57  1244.52  1259.85  1263.42
                             1309.31  1324.41  1328.92  1335.98  1338.15
                             1371.54  1395.07  1396.07  1441.94  1479.76
                             1522.35  1523.90  1533.10  1553.46  1562.35
                             1588.33  1590.16  1641.92  1677.61  1679.51
                             1686.42  1689.41  1706.31  1728.79  1749.48
                             1762.29  1787.54  1838.12  1839.09  1856.83
                             1865.90  1885.75  1892.67  1941.57  1952.10
                             1959.29  1970.38  1972.37  1978.24  1978.84
                             1981.79  1995.84  2002.88  2028.32  2031.50
                             2111.97  2115.13  2123.22  2127.51  2133.07
                             2136.01  2144.46  2152.02  2153.36  2156.16
                             2161.42  2164.68  2165.91  2167.32  2196.01
                             2196.85  4309.72  4332.50  4333.82  4338.48
                             4347.11  4355.13  4367.18  4373.06  4375.03
                             4381.42  4391.93  4406.98  4414.05  4415.59
                             4423.79  4426.59  4426.75  4435.25  4441.69
                             4456.22  4644.30  4645.75  4674.54  4675.36
 
 Zero-point correction=                           0.394831 (Hartree/Particle)
 Thermal correction to Energy=                    0.416033
 Thermal correction to Enthalpy=                  0.416977
 Thermal correction to Gibbs Free Energy=         0.346177
 Sum of electronic and zero-point Energies=          -1744.372617
 Sum of electronic and thermal Energies=             -1744.351415
 Sum of electronic and thermal Enthalpies=           -1744.350471
 Sum of electronic and thermal Free Energies=        -1744.421272
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  261.065             85.483            149.012
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             44.024
 Rotational               0.889              2.981             34.504
 Vibrational            259.287             79.521             70.484
 Vibration     1          0.593              1.985              6.336
 Vibration     2          0.599              1.965              3.983
 Vibration     3          0.602              1.957              3.680
 Vibration     4          0.603              1.951              3.507
 Vibration     5          0.609              1.933              3.105
 Vibration     6          0.609              1.931              3.080
 Vibration     7          0.610              1.928              3.027
 Vibration     8          0.614              1.915              2.830
 Vibration     9          0.616              1.911              2.771
 Vibration    10          0.623              1.887              2.505
 Vibration    11          0.630              1.864              2.306
 Vibration    12          0.633              1.856              2.242
 Vibration    13          0.637              1.844              2.158
 Vibration    14          0.655              1.785              1.830
 Vibration    15          0.669              1.743              1.651
 Vibration    16          0.680              1.711              1.535
 Vibration    17          0.683              1.702              1.504
 Vibration    18          0.700              1.653              1.358
 Vibration    19          0.705              1.638              1.317
 Vibration    20          0.710              1.623              1.279
 Vibration    21          0.720              1.596              1.213
 Vibration    22          0.723              1.588              1.194
 Vibration    23          0.736              1.550              1.112
 Vibration    24          0.740              1.541              1.094
 Vibration    25          0.777              1.441              0.914
 Vibration    26          0.786              1.417              0.877
 Vibration    27          0.791              1.406              0.860
 Vibration    28          0.808              1.363              0.799
 Vibration    29          0.814              1.347              0.777
 Vibration    30          0.830              1.310              0.729
 Vibration    31          0.855              1.251              0.659
 Vibration    32          0.875              1.206              0.611
 Vibration    33          0.933              1.082              0.492
 Vibration    34          0.960              1.027              0.446
 Vibration    35          0.981              0.988              0.415
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.588683-159       -159.230119       -366.640898
 Total V=0       0.239500D+23         22.379305         51.530254
 Vib (Bot)       0.221346-174       -174.654929       -402.157835
 Vib (Bot)    1  0.891058D+01          0.949906          2.187239
 Vib (Bot)    2  0.269930D+01          0.431251          0.992992
 Vib (Bot)    3  0.230782D+01          0.363203          0.836305
 Vib (Bot)    4  0.210947D+01          0.324174          0.746439
 Vib (Bot)    5  0.170733D+01          0.232317          0.534929
 Vib (Bot)    6  0.168434D+01          0.226431          0.521376
 Vib (Bot)    7  0.163728D+01          0.214124          0.493039
 Vib (Bot)    8  0.147289D+01          0.168169          0.387223
 Vib (Bot)    9  0.142695D+01          0.154408          0.355537
 Vib (Bot)   10  0.123227D+01          0.090706          0.208859
 Vib (Bot)   11  0.110153D+01          0.041996          0.096701
 Vib (Bot)   12  0.106191D+01          0.026087          0.060069
 Vib (Bot)   13  0.101131D+01          0.004884          0.011245
 Vib (Bot)   14  0.831028D+00         -0.080384         -0.185092
 Vib (Bot)   15  0.741834D+00         -0.129693         -0.298630
 Vib (Bot)   16  0.687253D+00         -0.162883         -0.375053
 Vib (Bot)   17  0.673025D+00         -0.171969         -0.395972
 Vib (Bot)   18  0.607894D+00         -0.216172         -0.497754
 Vib (Bot)   19  0.590514D+00         -0.228770         -0.526762
 Vib (Bot)   20  0.574164D+00         -0.240964         -0.554840
 Vib (Bot)   21  0.546407D+00         -0.262483         -0.604391
 Vib (Bot)   22  0.538535D+00         -0.268786         -0.618903
 Vib (Bot)   23  0.505056D+00         -0.296661         -0.683087
 Vib (Bot)   24  0.497617D+00         -0.303105         -0.697926
 Vib (Bot)   25  0.426805D+00         -0.369770         -0.851427
 Vib (Bot)   26  0.412260D+00         -0.384829         -0.886101
 Vib (Bot)   27  0.405721D+00         -0.391773         -0.902090
 Vib (Bot)   28  0.382200D+00         -0.417709         -0.961812
 Vib (Bot)   29  0.374049D+00         -0.427071         -0.983367
 Vib (Bot)   30  0.355645D+00         -0.448983         -1.033822
 Vib (Bot)   31  0.329041D+00         -0.482750         -1.111572
 Vib (Bot)   32  0.310657D+00         -0.507719         -1.169066
 Vib (Bot)   33  0.265255D+00         -0.576337         -1.327065
 Vib (Bot)   34  0.247429D+00         -0.606549         -1.396631
 Vib (Bot)   35  0.235446D+00         -0.628109         -1.446274
 Vib (V=0)       0.900524D+07          6.954495         16.013317
 Vib (V=0)    1  0.942460D+01          0.974263          2.243323
 Vib (V=0)    2  0.324522D+01          0.511244          1.177182
 Vib (V=0)    3  0.286137D+01          0.456574          1.051300
 Vib (V=0)    4  0.266792D+01          0.426173          0.981299
 Vib (V=0)    5  0.227903D+01          0.357751          0.823752
 Vib (V=0)    6  0.225699D+01          0.353530          0.814032
 Vib (V=0)    7  0.221193D+01          0.344771          0.793865
 Vib (V=0)    8  0.205544D+01          0.312905          0.720490
 Vib (V=0)    9  0.201201D+01          0.303630          0.699134
 Vib (V=0)   10  0.182985D+01          0.262415          0.604232
 Vib (V=0)   11  0.170970D+01          0.232919          0.536317
 Vib (V=0)   12  0.167373D+01          0.223686          0.515057
 Vib (V=0)   13  0.162816D+01          0.211697          0.487450
 Vib (V=0)   14  0.146985D+01          0.167273          0.385160
 Vib (V=0)   15  0.139460D+01          0.144451          0.332611
 Vib (V=0)   16  0.134989D+01          0.130299          0.300025
 Vib (V=0)   17  0.133843D+01          0.126595          0.291496
 Vib (V=0)   18  0.128711D+01          0.109614          0.252396
 Vib (V=0)   19  0.127376D+01          0.105088          0.241974
 Vib (V=0)   20  0.126136D+01          0.100838          0.232188
 Vib (V=0)   21  0.124065D+01          0.093649          0.215635
 Vib (V=0)   22  0.123486D+01          0.091618          0.210958
 Vib (V=0)   23  0.121069D+01          0.083033          0.191191
 Vib (V=0)   24  0.120542D+01          0.081140          0.186831
 Vib (V=0)   25  0.115739D+01          0.063480          0.146168
 Vib (V=0)   26  0.114804D+01          0.059958          0.138058
 Vib (V=0)   27  0.114390D+01          0.058389          0.134445
 Vib (V=0)   28  0.112935D+01          0.052827          0.121639
 Vib (V=0)   29  0.112443D+01          0.050932          0.117276
 Vib (V=0)   30  0.111358D+01          0.046722          0.107582
 Vib (V=0)   31  0.109855D+01          0.040822          0.093996
 Vib (V=0)   32  0.108865D+01          0.036888          0.084937
 Vib (V=0)   33  0.106600D+01          0.027759          0.063917
 Vib (V=0)   34  0.105787D+01          0.024433          0.056259
 Vib (V=0)   35  0.105266D+01          0.022289          0.051322
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.343201D+09          8.535548         19.653827
 Rotational      0.774928D+07          6.889261         15.863111
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000054649    0.000000164    0.000035922
      2        6           0.000032068    0.000015398    0.000020106
      3        6           0.000021223   -0.000004821   -0.000002532
      4        6           0.000043029   -0.000001376   -0.000037326
      5        6          -0.000014612    0.000001279    0.000013789
      6        6           0.000016017    0.000006126   -0.000004607
      7        6           0.000011618    0.000010236    0.000006225
      8        6          -0.000011845    0.000013321   -0.000007057
      9        6           0.000002240   -0.000003493   -0.000009018
     10        6          -0.000011397    0.000017289    0.000010830
     11        6           0.000011984    0.000004770    0.000002577
     12        6          -0.000015859   -0.000003678   -0.000002867
     13        6          -0.000012357   -0.000028466    0.000015488
     14        6          -0.000034588   -0.000009016    0.000016235
     15        6          -0.000023348    0.000005617   -0.000002954
     16        6           0.000019741    0.000008289    0.000027701
     17        6           0.000052473    0.000023101   -0.000054079
     18        6          -0.000019397    0.000012529    0.000025721
     19        6           0.000016105   -0.000005558   -0.000005499
     20        6           0.000003731    0.000011181    0.000006058
     21       40          -0.000019904   -0.000039058   -0.000072933
     22       17          -0.000010590    0.000021694    0.000048482
     23       17          -0.000008588    0.000048716   -0.000020528
     24        1           0.000008234   -0.000008579    0.000006679
     25        1          -0.000002216   -0.000005294   -0.000002046
     26        1           0.000035208    0.000004619    0.000005951
     27        1          -0.000017455    0.000001752    0.000007988
     28        1           0.000001462   -0.000000113    0.000001270
     29        1           0.000003319   -0.000001040    0.000001770
     30        1           0.000022009   -0.000018924   -0.000010517
     31        1          -0.000000814   -0.000001302    0.000002598
     32        1          -0.000002833   -0.000003511    0.000001679
     33        1          -0.000009857    0.000004041   -0.000021503
     34        1           0.000001132    0.000003096    0.000000702
     35        1           0.000000440    0.000004274    0.000013366
     36        1           0.000013080   -0.000002886    0.000004092
     37        1          -0.000002084   -0.000003030   -0.000000152
     38        1          -0.000031387   -0.000021628   -0.000000003
     39        1          -0.000001485    0.000003017    0.000004315
     40        1          -0.000003285   -0.000003456    0.000003870
     41        1           0.000018767   -0.000003339   -0.000060336
     42        1          -0.000001490    0.000000338   -0.000002089
     43        1          -0.000037134   -0.000037553    0.000020659
     44        1          -0.000001970    0.000000011   -0.000005068
     45        1          -0.000006383    0.000002609   -0.000001168
     46        1           0.000019570   -0.000018039    0.000022222
     47        1           0.000002079    0.000000693   -0.000004010
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072933 RMS     0.000019124
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.340610D+03 -0.448959D+00 -0.480058D+01
      2  -0.448959D+00  0.272445D+03  0.458539D+00
      3  -0.480058D+01  0.458539D+00  0.252545D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.403101D+01 -0.120409D+01 -0.521265D+02
      2  -0.262609D+00 -0.149755D+02 -0.230231D+01
      3   0.841190D+02 -0.470143D+01  0.177652D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.464417D+01 -0.997872D+02 -0.866636D+01
      2   0.931806D+01  0.193802D+03 -0.168229D+00
      3  -0.467389D+01 -0.940152D+02  0.883459D+01
      4   0.240691D+02  0.165446D+02 -0.314293D+02
      5  -0.150250D+02 -0.278716D+02 -0.927506D+01
      6  -0.608852D+01 -0.117118D+02  0.549148D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.424390D+01  0.642149D+00  0.945548D+00  0.364716D+00 -0.191619D+01
      2   0.642149D+00 -0.681897D+00  0.723675D-01 -0.191619D+01 -0.630971D+01
      3   0.945548D+00  0.723675D-01  0.140506D+01  0.674413D+00  0.793936D+00
                 6             7             8             9            10 
      1   0.674413D+00  0.394075D+01  0.127913D+01 -0.212391D+00  0.100623D+02
      2   0.793936D+00  0.127913D+01  0.975102D+00 -0.557950D+00  0.359917D+01
      3   0.561651D+00 -0.212391D+00 -0.557950D+00  0.388286D+01 -0.751034D+00
                11            12            13            14            15 
      1   0.359917D+01 -0.751034D+00  0.103023D+02  0.382683D+01 -0.336834D+01
      2   0.518689D+01 -0.188080D+01  0.382683D+01  0.583418D+00  0.907930D-01
      3  -0.188080D+01  0.118029D+01 -0.336834D+01  0.907930D-01  0.206890D+01
                16            17            18            19            20 
      1  -0.629956D+01 -0.282641D-01  0.309787D+01  0.145677D+02 -0.318459D+01
      2  -0.282641D-01 -0.294883D+01  0.143883D+01 -0.318459D+01  0.263058D+01
      3   0.309787D+01  0.143883D+01 -0.213790D+01  0.490528D+01 -0.131034D+01
                21            22            23            24            25 
      1   0.490528D+01 -0.104163D+02  0.733421D+00  0.336919D+01  0.423486D+01
      2  -0.131034D+01  0.733421D+00 -0.801948D+00 -0.241180D+00  0.263022D+01
      3   0.277277D+01  0.336919D+01 -0.241180D+00 -0.865911D+00 -0.184201D+01
                26            27            28            29            30 
      1   0.263022D+01 -0.184201D+01 -0.723383D+01  0.976806D+00 -0.350794D+01
      2  -0.258411D+01 -0.115234D+00  0.976806D+00  0.456779D+00  0.104397D+01
      3  -0.115234D+00  0.543533D+00 -0.350794D+01  0.104397D+01 -0.310689D+01
                31            32            33            34            35 
      1   0.266705D+01 -0.156745D+01  0.556386D+00 -0.555449D+01  0.121085D+01
      2  -0.156745D+01  0.518253D+01 -0.484817D+00  0.121085D+01  0.735416D+00
      3   0.556386D+00 -0.484817D+00 -0.350874D+00 -0.497714D+01 -0.365954D+00
                36            37            38            39            40 
      1  -0.497714D+01 -0.678004D+01  0.459986D+01  0.109579D+01  0.555402D+01
      2  -0.365954D+00  0.459986D+01 -0.922727D+00 -0.175031D+00 -0.954045D+00
      3  -0.196167D+01  0.109579D+01 -0.175031D+00  0.258239D+01 -0.114842D-01
                41            42            43            44            45 
      1  -0.954045D+00 -0.114842D-01  0.384016D+00  0.582543D-01  0.330713D+01
      2  -0.160448D+01  0.846909D+00  0.582543D-01  0.789326D+00  0.182674D+01
      3   0.846909D+00  0.181236D+01  0.330713D+01  0.182674D+01  0.853947D+00
                46            47            48            49            50 
      1   0.129369D+01 -0.336954D+01  0.438180D+00 -0.584760D+01 -0.122552D+01
      2  -0.336954D+01 -0.639297D+00  0.297383D+00 -0.122552D+01  0.186063D+01
      3   0.438180D+00  0.297383D+00 -0.362732D+01  0.417878D+00 -0.473669D+00
                51            52            53            54            55 
      1   0.417878D+00  0.185902D+01  0.366420D+00 -0.628112D+01  0.308084D+01
      2  -0.473669D+00  0.366420D+00 -0.477129D+00 -0.307073D+01  0.160594D+01
      3  -0.256439D+01 -0.628112D+01 -0.307073D+01  0.754755D+00  0.431727D+00
                56            57            58            59            60 
      1   0.160594D+01  0.431727D+00 -0.148280D+01 -0.447260D+00  0.173676D+01
      2  -0.257829D+01  0.387828D+00 -0.447260D+00  0.112254D+01 -0.243141D+00
      3   0.387828D+00  0.453266D+01  0.173676D+01 -0.243141D+00 -0.863758D+00
                61            62            63            64            65 
      1   0.419164D+01 -0.184427D+01  0.578367D+01 -0.153186D+01 -0.118444D+01
      2  -0.184427D+01  0.865632D+00  0.835636D+00 -0.118444D+01  0.209800D+00
      3   0.578367D+01  0.835636D+00  0.625637D+01  0.157779D+01  0.177339D+01
                66            67            68            69            70 
      1   0.157779D+01  0.144665D+01  0.860103D+00  0.996695D-01 -0.697932D+00
      2   0.177339D+01  0.860103D+00 -0.110015D+01  0.136770D+01 -0.948523D+00
      3   0.759806D+00  0.996695D-01  0.136770D+01  0.395233D+01  0.173274D+01
                71            72            73            74            75 
      1  -0.948523D+00  0.173274D+01 -0.591845D+01  0.150747D+01 -0.130479D+00
      2   0.421685D+01  0.262202D+01  0.150747D+01 -0.168707D+01  0.330531D+01
      3   0.262202D+01  0.760544D+01 -0.130479D+00  0.330531D+01  0.104759D+00
                76            77            78            79            80 
      1   0.117585D+01  0.126122D-01 -0.320712D+00 -0.209540D+00  0.226401D+01
      2   0.126122D-01  0.125536D+02  0.137496D+01  0.226401D+01  0.129829D+01
      3  -0.320712D+00  0.137496D+01  0.177965D+01 -0.800930D+00  0.806227D+00
                81            82            83            84            85 
      1  -0.800930D+00  0.706167D+00 -0.271636D+01 -0.186530D+01 -0.113271D+01
      2   0.806227D+00 -0.271636D+01 -0.431436D+01 -0.675193D+00 -0.277681D+01
      3  -0.245586D+01 -0.186530D+01 -0.675193D+00  0.169885D+01  0.335610D+00
                86            87            88            89            90 
      1  -0.277681D+01  0.335610D+00 -0.134204D+01 -0.425064D-01  0.231417D+01
      2  -0.814177D+01 -0.133622D+01 -0.425064D-01  0.115564D+01 -0.110591D+01
      3  -0.133622D+01 -0.801358D-01  0.231417D+01 -0.110591D+01  0.162311D+00
                91            92            93            94            95 
      1  -0.927716D+00 -0.261206D+01  0.187037D+01 -0.866497D+00  0.259007D+01
      2  -0.261206D+01  0.420459D+01 -0.822348D+00  0.259007D+01 -0.803629D+01
      3   0.187037D+01 -0.822348D+00 -0.168206D+01  0.166531D+00  0.151284D+01
                96            97            98            99           100 
      1   0.166531D+00  0.106143D+01 -0.253006D+00 -0.231028D+01  0.718289D+01
      2   0.151284D+01 -0.253006D+00 -0.105186D+01 -0.113045D+01  0.112251D+01
      3  -0.806441D-01 -0.231028D+01 -0.113045D+01 -0.170238D+00  0.157333D-01
               101           102           103           104           105 
      1   0.112251D+01  0.157333D-01  0.548514D+00  0.637032D+00 -0.399632D+00
      2   0.196057D+01  0.282353D+01  0.637032D+00  0.121168D+02 -0.135521D+01
      3   0.282353D+01 -0.223518D+00 -0.399632D+00 -0.135521D+01  0.157668D+01
               106           107           108           109           110 
      1   0.784710D+00  0.230250D+01  0.112857D+01 -0.985691D+01  0.412962D+01
      2   0.230250D+01 -0.129526D+01  0.115098D+01  0.412962D+01 -0.609855D+01
      3   0.112857D+01  0.115098D+01  0.246446D+01  0.215659D+00 -0.156912D+01
               111           112           113           114           115 
      1   0.215659D+00  0.102793D+02 -0.468326D+01 -0.238718D+01  0.708460D+01
      2  -0.156912D+01 -0.468326D+01  0.943309D+00  0.195503D+00 -0.245975D+00
      3  -0.485708D+00 -0.238718D+01  0.195503D+00  0.184685D+01 -0.312722D+01
               116           117           118           119           120 
      1  -0.245975D+00 -0.312722D+01 -0.154003D+02 -0.313193D+01 -0.504479D+01
      2   0.289636D+01  0.128996D+01 -0.313193D+01 -0.274342D+01 -0.115444D+01
      3   0.128996D+01  0.166626D+01 -0.504479D+01 -0.115444D+01 -0.317673D+01
               121           122           123           124           125 
      1  -0.918480D+01 -0.522825D+00  0.330075D+01 -0.438419D+01  0.259690D+01
      2  -0.522825D+00 -0.582374D+00  0.594924D-01  0.259690D+01  0.238226D+01
      3   0.330075D+01  0.594924D-01 -0.103063D+01  0.139634D+01 -0.246676D+00
               126           127           128           129           130 
      1   0.139634D+01 -0.223707D+01  0.221759D+01  0.488763D+00 -0.868893D+00
      2  -0.246676D+00  0.221759D+01  0.278505D+01  0.563644D+00  0.675067D+00
      3  -0.119627D+01  0.488763D+00  0.563644D+00 -0.435210D+01  0.172990D+01
               131           132           133           134           135 
      1   0.675067D+00  0.172990D+01 -0.461814D+01 -0.181406D+01 -0.565793D+01
      2   0.904621D+00  0.355974D+00 -0.181406D+01 -0.608222D+00  0.853760D+00
      3   0.355974D+00 -0.627078D+00 -0.565793D+01  0.853760D+00 -0.667936D+01
               136           137           138           139           140 
      1   0.899260D+00 -0.109347D+01 -0.139304D+01  0.149487D+01 -0.122037D+01
      2  -0.109347D+01  0.691201D-01  0.158722D+01 -0.122037D+01 -0.120930D+01
      3  -0.139304D+01  0.158722D+01 -0.554220D+00 -0.332023D+00 -0.175358D+01
               141           142           143           144           145 
      1  -0.332023D+00  0.443806D+00 -0.130685D+01 -0.150624D+01  0.432171D+01
      2  -0.175358D+01 -0.130685D+01 -0.413888D+01  0.244144D+01 -0.265700D+01
      3   0.382729D+01 -0.150624D+01  0.244144D+01 -0.770204D+01 -0.796069D+00
               146           147           148           149           150 
      1  -0.265700D+01 -0.796069D+00 -0.610857D+01  0.647887D+01 -0.476363D+00
      2   0.339459D+01 -0.130490D+01  0.647887D+01 -0.555826D+01 -0.438527D+00
      3  -0.130490D+01 -0.105747D+01 -0.476363D+00 -0.438527D+00 -0.148795D+01
               151           152           153           154           155 
      1  -0.207519D+01 -0.229537D+01 -0.272129D+00  0.995724D+00 -0.235631D+01
      2  -0.229537D+01 -0.515130D-01 -0.215024D+01 -0.235631D+01 -0.385292D+00
      3  -0.272129D+00 -0.215024D+01 -0.168948D+01 -0.253692D+01  0.321224D+01
               156           157           158           159           160 
      1  -0.253692D+01 -0.365139D+01 -0.310751D+00  0.410965D+01 -0.291886D+01
      2   0.321224D+01 -0.310751D+00  0.683569D+00 -0.159273D+01  0.392264D+01
      3   0.165363D+01  0.410965D+01 -0.159273D+01  0.514177D+00  0.178151D+01
               161           162           163           164           165 
      1   0.392264D+01  0.178151D+01  0.513786D+01  0.276184D+01  0.641089D+00
      2  -0.165988D+01  0.869724D+00  0.276184D+01  0.161637D+01 -0.277904D+01
      3   0.869724D+00 -0.170486D+01  0.641089D+00 -0.277904D+01 -0.242857D+00
               166           167           168           169           170 
      1   0.469125D+01  0.283016D+01 -0.409187D+01  0.806690D+00 -0.414703D+01
      2   0.283016D+01 -0.478058D+00  0.901094D+00 -0.414703D+01  0.735084D+00
      3  -0.409187D+01  0.901094D+00 -0.167985D+01  0.627654D+00 -0.186131D+01
               171           172           173           174           175 
      1   0.627654D+00  0.380389D+01  0.671526D+00  0.740008D+00  0.399842D+01
      2  -0.186131D+01  0.671526D+00  0.563529D+00  0.227237D+01  0.247616D+01
      3   0.730320D+00  0.740008D+00  0.227237D+01  0.192620D+01  0.285893D+01
               176           177           178           179           180 
      1   0.247616D+01  0.285893D+01 -0.425158D+00  0.207194D+01  0.292971D+01
      2   0.329698D+01 -0.308271D+00  0.207194D+01 -0.797987D+00  0.289094D+01
      3  -0.308271D+00  0.227493D+01  0.292971D+01  0.289094D+01  0.268425D+01
               181           182           183           184           185 
      1   0.172225D-01 -0.596955D+01  0.886487D-01  0.116348D+01 -0.212178D+00
      2  -0.596955D+01 -0.236314D+00 -0.241465D+01 -0.212178D+00 -0.906261D+01
      3   0.886487D-01 -0.241465D+01  0.480817D-01 -0.189098D+01  0.266970D+00
               186           187           188           189           190 
      1  -0.189098D+01  0.232039D-01 -0.327612D+01  0.151588D+00  0.853842D+01
      2   0.266970D+00 -0.327612D+01  0.733092D-01 -0.445920D+01 -0.145553D+01
      3  -0.123852D+01  0.151588D+00 -0.445920D+01  0.301177D+00 -0.372594D+00
               191           192           193           194           195 
      1  -0.145553D+01 -0.372594D+00 -0.429677D+01  0.135248D+01 -0.178305D+00
      2   0.432330D+00  0.562478D+00  0.135248D+01 -0.103927D+02 -0.247438D+01
      3   0.562478D+00  0.132507D+01 -0.178305D+00 -0.247438D+01 -0.279629D+01
               196           197           198           199           200 
      1  -0.297533D+01  0.704309D+00  0.676000D+00 -0.920771D+01 -0.787973D+00
      2   0.704309D+00 -0.159215D+01 -0.307992D+01 -0.787973D+00 -0.789554D+00
      3   0.676000D+00 -0.307992D+01 -0.659752D+01  0.458505D+00  0.463328D+00
               201           202           203           204           205 
      1   0.458505D+00 -0.313868D+01 -0.170238D+01  0.287109D-01  0.323761D+01
      2   0.463328D+00 -0.170238D+01 -0.944123D+01  0.272133D+01  0.580495D+00
      3  -0.162507D+01  0.287109D-01  0.272133D+01 -0.253469D+01 -0.104254D+01
               206           207           208           209           210 
      1   0.580495D+00 -0.104254D+01 -0.216561D+01  0.974898D+00  0.235673D+01
      2   0.201673D+01 -0.285378D+01  0.974898D+00 -0.830640D+00 -0.137176D+01
      3  -0.285378D+01  0.753521D+01  0.235673D+01 -0.137176D+01 -0.415315D+01
               211           212           213           214           215 
      1   0.935572D+00 -0.493846D+00 -0.614749D+00  0.230911D+01 -0.357902D+00
      2  -0.493846D+00  0.676176D+00  0.468342D+00 -0.357902D+00  0.772415D+00
      3  -0.614749D+00  0.468342D+00  0.545553D-02 -0.228589D+01  0.297798D+00
               216           217           218           219           220 
      1  -0.228589D+01  0.367129D+00 -0.363052D+00  0.235119D-02 -0.111026D+01
      2   0.297798D+00 -0.363052D+00  0.324943D+00 -0.356845D-01  0.877363D+00
      3   0.394864D+01  0.235119D-02 -0.356845D-01 -0.821599D+00 -0.120533D+01
               221           222           223           224           225 
      1   0.877363D+00 -0.120533D+01  0.653182D+00 -0.230340D+00  0.467318D-01
      2  -0.329092D+01  0.332094D+01 -0.230340D+00  0.224316D+01 -0.259826D+01
      3   0.332094D+01 -0.444652D+01  0.467318D-01 -0.259826D+01  0.426891D+01
               226           227           228           229           230 
      1  -0.118327D+01 -0.547932D+00 -0.745343D+00 -0.163581D+01 -0.852375D-01
      2  -0.547932D+00 -0.447745D+00  0.197034D+00 -0.852375D-01  0.789411D+00
      3  -0.745343D+00  0.197034D+00 -0.946124D+00 -0.187577D-01 -0.655836D+00
               231           232           233           234           235 
      1  -0.187577D-01 -0.386441D+01 -0.659857D+00  0.899866D+00  0.288839D+00
      2  -0.655836D+00 -0.659857D+00 -0.124097D+01  0.116229D+01  0.847375D+00
      3  -0.553810D+00  0.899866D+00  0.116229D+01 -0.549178D+01  0.137370D+00
               236           237           238           239           240 
      1   0.847375D+00  0.137370D+00  0.315191D+01  0.196848D+01 -0.747807D+00
      2   0.778805D+00 -0.758795D-01  0.196848D+01  0.869455D+01 -0.125128D+01
      3  -0.758795D-01 -0.248334D+00 -0.747807D+00 -0.125128D+01  0.908764D+00
               241           242           243           244           245 
      1   0.154825D+00 -0.573373D-01  0.133374D+00  0.584926D+01  0.205046D+01
      2  -0.573373D-01  0.759658D-01  0.904860D+00  0.205046D+01  0.129108D+01
      3   0.133374D+00  0.904860D+00 -0.469015D+00 -0.324698D+01 -0.102081D+01
               246           247           248           249           250 
      1  -0.324698D+01  0.252208D+01  0.183628D+01 -0.116388D+01 -0.592610D+01
      2  -0.102081D+01  0.183628D+01  0.121365D+01 -0.132968D+01 -0.180440D+01
      3   0.249084D+01 -0.116388D+01 -0.132968D+01  0.135712D+01  0.482590D+01
               251           252           253           254           255 
      1  -0.180440D+01  0.482590D+01  0.419577D+01  0.194216D+01  0.173139D+01
      2  -0.173816D+01  0.215543D+01  0.194216D+01  0.127202D+01  0.616689D+00
      3   0.215543D+01 -0.471421D+01  0.173139D+01  0.616689D+00  0.151447D+01
               256           257           258           259           260 
      1   0.293508D+01  0.182068D+01  0.748077D+00  0.449191D+01  0.160358D+01
      2   0.182068D+01  0.156386D+01  0.103496D+01  0.160358D+01  0.198168D+01
      3   0.748077D+00  0.103496D+01  0.112839D+01  0.290667D+01  0.165874D+01
               261           262           263           264           265 
      1   0.290667D+01 -0.226684D+01 -0.137434D+01 -0.945120D+00 -0.199679D+01
      2   0.165874D+01 -0.137434D+01 -0.455720D+00 -0.183816D+00 -0.782737D-01
      3   0.290518D+01 -0.945120D+00 -0.183816D+00 -0.118538D+01  0.148852D-01
               266           267           268           269           270 
      1  -0.782737D-01  0.148852D-01 -0.182504D+01 -0.143768D+00 -0.182014D+00
      2  -0.838550D+00 -0.886678D+00 -0.143768D+00 -0.171463D+01 -0.149952D+01
      3  -0.886678D+00 -0.114620D+01 -0.182014D+00 -0.149952D+01 -0.366447D+01
               271           272           273           274           275 
      1   0.128688D+02 -0.407592D+01 -0.161921D+01 -0.413224D+01  0.286902D+01
      2  -0.407592D+01  0.243953D+01  0.364018D+00  0.286902D+01 -0.182050D+01
      3  -0.161921D+01  0.364018D+00  0.858892D+00  0.572250D+00 -0.393200D+00
               276           277           278           279           280 
      1   0.572250D+00 -0.515032D+00  0.259022D+00  0.119173D+01  0.822563D+01
      2  -0.393200D+00  0.259022D+00 -0.172413D+00 -0.744172D+00 -0.128014D+01
      3  -0.621819D+00  0.119173D+01 -0.744172D+00 -0.375111D+00  0.373857D+01
               281           282           283           284           285 
      1  -0.128014D+01  0.373857D+01  0.303267D+00  0.131864D+01 -0.213560D-01
      2   0.811771D+00 -0.817098D+00  0.131864D+01 -0.888043D+00  0.747389D+00
      3  -0.817098D+00  0.304580D+01 -0.213560D-01  0.747389D+00  0.325048D+00
               286           287           288           289           290 
      1   0.723155D+01 -0.181402D+01  0.475538D+01 -0.265942D+00 -0.103234D+01
      2  -0.181402D+01  0.117501D+01 -0.108382D+01 -0.103234D+01 -0.470760D+00
      3   0.475538D+01 -0.108382D+01  0.500341D+01  0.202577D-01  0.153705D+00
               291           292           293           294           295 
      1   0.202577D-01 -0.337810D+01  0.209341D+01 -0.249151D+00  0.389160D+00
      2   0.153705D+00  0.209341D+01 -0.738100D+01  0.944078D+00 -0.334356D+00
      3   0.503150D-01 -0.249151D+00  0.944078D+00 -0.102975D+01  0.774516D+00
               296           297           298           299           300 
      1  -0.334356D+00  0.774516D+00  0.264140D+01  0.311499D+01  0.962818D+00
      2   0.165446D+00 -0.671601D+00  0.311499D+01  0.630150D+01  0.113084D+01
      3  -0.671601D+00  0.452667D+00  0.962818D+00  0.113084D+01  0.660779D+00
               301           302           303           304           305 
      1   0.238528D+01  0.293950D+01  0.705918D+00  0.527788D+00  0.631824D+00
      2   0.293950D+01  0.107328D+02  0.162734D+01  0.631824D+00  0.794496D+00
      3   0.705918D+00  0.162734D+01  0.119969D+01  0.415619D+00  0.171689D+01
               306           307           308           309           310 
      1   0.415619D+00 -0.311157D+01  0.131779D+01  0.145535D+01  0.540006D+00
      2   0.171689D+01  0.131779D+01 -0.151996D+01 -0.107430D+01 -0.650853D+00
      3   0.695423D+00  0.145535D+01 -0.107430D+01 -0.179980D+01 -0.473134D+00
               311           312           313           314           315 
      1  -0.650853D+00 -0.473134D+00  0.176756D+01 -0.989013D+00 -0.150333D+01
      2   0.179744D+01  0.115324D+01 -0.989013D+00  0.231251D+01  0.153054D+01
      3   0.115324D+01  0.855305D+00 -0.150333D+01  0.153054D+01  0.271308D+01
               316           317           318           319           320 
      1   0.312904D+01  0.130719D+01 -0.149231D+01  0.474992D+00  0.576734D+00
      2   0.130719D+01  0.144985D+01 -0.106885D+01  0.576734D+00  0.161321D+01
      3  -0.149231D+01 -0.106885D+01  0.189786D+01 -0.430401D+00 -0.108162D+01
               321           322           323           324           325 
      1  -0.430401D+00 -0.168077D+01 -0.102505D+01  0.151227D+01 -0.245756D+01
      2  -0.108162D+01 -0.102505D+01 -0.218965D+01  0.149639D+01  0.293871D+01
      3   0.777773D+00  0.151227D+01  0.149639D+01 -0.274709D+01 -0.988847D+00
               326           327           328           329           330 
      1   0.293871D+01 -0.988847D+00  0.224063D+01 -0.275560D+01  0.744389D+00
      2  -0.621998D+01  0.123929D+01 -0.275560D+01  0.106878D+02 -0.177902D+01
      3   0.123929D+01 -0.686655D+00  0.744389D+00 -0.177902D+01  0.126470D+01
               331           332           333           334           335 
      1  -0.557148D+00  0.678849D+00 -0.401521D+00  0.270814D+01  0.992541D+00
      2   0.678849D+00 -0.991338D+00  0.174787D+01  0.992541D+00  0.770445D+00
      3  -0.401521D+00  0.174787D+01 -0.776882D+00 -0.246783D+01 -0.123542D+01
               336           337           338           339           340 
      1  -0.246783D+01  0.933624D+00  0.504207D+00 -0.478900D+00 -0.235878D+01
      2  -0.123542D+01  0.504207D+00  0.630011D+00 -0.424123D+00 -0.322301D+00
      3   0.410382D+01 -0.478900D+00 -0.424123D+00 -0.207502D+00  0.226312D+01
               341           342           343           344           345 
      1  -0.322301D+00  0.226312D+01 -0.302762D+00 -0.425646D+00 -0.137241D+00
      2  -0.743604D+00  0.147239D+00 -0.425646D+00 -0.337370D+00 -0.454968D-01
      3   0.147239D+00 -0.362175D+01 -0.137241D+00 -0.454968D-01  0.865866D+00
               346           347           348           349           350 
      1  -0.111997D+01 -0.774529D+00 -0.111855D+01 -0.620671D+00 -0.200078D+00
      2  -0.774529D+00 -0.328742D+01 -0.330338D+01 -0.200078D+00 -0.230580D+01
      3  -0.111855D+01 -0.330338D+01 -0.448900D+01  0.362754D-01 -0.261163D+01
               351           352           353           354           355 
      1   0.362754D-01 -0.482162D+01  0.283676D+01  0.579264D-01  0.547684D+01
      2  -0.261163D+01  0.283676D+01 -0.322986D+01  0.344261D+00 -0.501363D+01
      3  -0.407430D+01  0.579264D-01  0.344261D+00 -0.312236D+00 -0.416923D+00
               356           357           358           359           360 
      1  -0.501363D+01 -0.416923D+00 -0.217475D+01  0.174394D+01 -0.464832D+00
      2   0.772933D+01 -0.681865D-01  0.174394D+01 -0.211346D+01  0.119233D+01
      3  -0.681865D-01  0.106842D+01 -0.464832D+00  0.119233D+01 -0.580797D+00
               361           362           363           364           365 
      1   0.252219D+01  0.608526D+00  0.722793D+00  0.167486D+01 -0.489105D+00
      2   0.608526D+00  0.660351D+00  0.790083D+00 -0.489105D+00  0.230018D+01
      3   0.722793D+00  0.790083D+00  0.104792D+01 -0.480158D-02  0.132568D+01
               366           367           368           369           370 
      1  -0.480158D-02  0.234154D+01  0.574549D+00 -0.355135D-01 -0.773345D+01
      2   0.132568D+01  0.574549D+00  0.183759D+01  0.227639D+01  0.244132D+01
      3   0.125448D+01 -0.355135D-01  0.227639D+01  0.372318D+01  0.382529D+01
               371           372           373           374           375 
      1   0.244132D+01  0.382529D+01  0.377147D+01 -0.219057D+01 -0.224369D+01
      2  -0.147530D+01 -0.167806D+01 -0.219057D+01  0.200619D+01  0.174555D+01
      3  -0.167806D+01 -0.291409D+01 -0.224369D+01  0.174555D+01  0.173359D+01
               376           377           378           379           380 
      1   0.386446D+01 -0.156556D+01 -0.352069D+01  0.237303D+01 -0.973385D+00
      2  -0.156556D+01  0.122187D+01  0.140193D+01 -0.973385D+00  0.797991D+00
      3  -0.352069D+01  0.140193D+01  0.357299D+01  0.840633D+00 -0.484990D+00
               381           382           383           384           385 
      1   0.840633D+00 -0.196859D+01  0.607575D+00 -0.528403D+00  0.166418D+01
      2  -0.484990D+00  0.607575D+00 -0.189983D+01  0.123575D+01 -0.465319D+00
      3   0.534432D+00 -0.528403D+00  0.123575D+01 -0.191460D+01 -0.333435D+00
               386           387           388           389           390 
      1  -0.465319D+00 -0.333435D+00 -0.106551D+02 -0.355742D+01  0.119303D+01
      2   0.131532D+01 -0.118386D+01 -0.355742D+01 -0.204956D+01  0.571228D+00
      3  -0.118386D+01  0.322300D+01  0.119303D+01  0.571228D+00 -0.933425D+00
               391           392           393           394           395 
      1  -0.605238D+01 -0.336482D+01  0.105953D+01  0.299759D+01  0.141485D+01
      2  -0.336482D+01 -0.255045D+01  0.295235D+00  0.141485D+01  0.608596D+00
      3   0.105953D+01  0.295235D+00 -0.522883D+00 -0.171084D+01 -0.452773D+00
               396           397           398           399           400 
      1  -0.171084D+01 -0.451611D+01  0.128816D+01 -0.179083D+01  0.337745D+01
      2  -0.452773D+00  0.128816D+01 -0.110060D+01  0.788280D+00 -0.241222D+01
      3   0.822387D+00 -0.179083D+01  0.788280D+00 -0.113853D+01  0.191911D+01
               401           402           403           404           405 
      1  -0.241222D+01  0.191911D+01 -0.386146D+01  0.162917D+01 -0.227256D+01
      2   0.249343D+01 -0.136528D+01  0.162917D+01 -0.139443D+01  0.136625D+01
      3  -0.136528D+01  0.193111D+01 -0.227256D+01  0.136625D+01 -0.284282D+01
               406           407           408           409           410 
      1   0.435106D+00 -0.100249D+01  0.108560D+01 -0.374559D+01 -0.200552D+01
      2  -0.100249D+01 -0.728429D-01 -0.460064D-01 -0.200552D+01 -0.498749D+01
      3   0.108560D+01 -0.460064D-01  0.109705D+00 -0.485117D+00  0.626316D+00
               411           412           413           414           415 
      1  -0.485117D+00  0.332499D+01  0.395716D-01 -0.227207D+00 -0.339437D+01
      2   0.626316D+00  0.395716D-01  0.155814D+01 -0.112962D+01 -0.134394D+01
      3  -0.105054D+01 -0.227207D+00 -0.112962D+01  0.566412D+00 -0.221133D+01
               416           417           418           419           420 
      1  -0.134394D+01 -0.221133D+01 -0.227469D+01 -0.203145D+01 -0.149070D+01
      2  -0.112138D+01 -0.133646D+01 -0.203145D+01 -0.251301D+01 -0.177229D+01
      3  -0.133646D+01 -0.189697D+01 -0.149070D+01 -0.177229D+01 -0.184132D+01
               421           422           423 
      1  -0.488560D+01 -0.239177D+01 -0.372065D+01
      2  -0.239177D+01 -0.239191D+01 -0.310861D+01
      3  -0.372065D+01 -0.310861D+01 -0.568276D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.697238D+01  0.923211D-02 -0.366808D+01  0.277236D+01  0.687416D+01
      2   0.343132D+01  0.296140D+01  0.105715D+02  0.966135D+01  0.494933D+01
      3  -0.150670D+02  0.348699D+01  0.250694D+01  0.138080D+02  0.196116D+02
                 6             7             8             9            10 
      1  -0.504142D+01  0.244798D+01  0.701373D+01 -0.120435D+02 -0.618848D-01
      2   0.382622D+01 -0.119863D+02 -0.424055D+01  0.239099D+02 -0.219401D+02
      3  -0.200286D+01  0.351941D+01  0.148211D+01  0.400471D+00  0.122516D+02
                11            12            13            14            15 
      1   0.156574D+02 -0.111559D+01  0.283848D+02 -0.534715D+01 -0.466642D+01
      2  -0.139636D+02  0.188046D+01 -0.392096D+02 -0.652982D+01  0.140205D+02
      3  -0.124745D+02  0.572325D+01  0.295482D+01  0.111984D+02 -0.109463D+02
                16            17            18            19            20 
      1   0.177626D+01 -0.980103D+01  0.100019D+02 -0.918215D+01  0.123124D+02
      2   0.103366D+02  0.254777D+01 -0.186663D+02 -0.288065D+02  0.203120D+01
      3  -0.650436D+01  0.676309D+01  0.261883D+01  0.180227D+02 -0.108499D+02
                21            22            23            24            25 
      1  -0.864914D+01 -0.332548D+01 -0.123217D+01 -0.206301D+01  0.783181D+01
      2  -0.642099D+01  0.327707D+02 -0.106581D+02 -0.159940D+02 -0.356739D+02
      3   0.737812D+01 -0.154928D+01  0.111220D+01  0.134851D+02  0.245161D+01
                26            27            28            29            30 
      1  -0.607923D+01 -0.424329D+00 -0.744309D+00  0.204962D+01 -0.268270D+01
      2  -0.691329D+01  0.711873D+01  0.590556D+00  0.302045D+00 -0.508256D+01
      3   0.147270D+02 -0.642082D+01  0.220868D+01 -0.517394D+01  0.141871D+00
                31            32            33            34            35 
      1   0.646695D+00  0.103035D+02 -0.543815D+01 -0.825123D+01  0.123097D+01
      2  -0.553841D+01  0.452617D+01 -0.462447D+01 -0.157217D+02 -0.305066D+01
      3   0.133106D+02 -0.269488D+02 -0.106344D+01  0.133183D+01 -0.577289D+01
                36            37            38            39            40 
      1  -0.371645D+00 -0.389055D+01  0.503199D+00  0.236946D+01  0.598787D+00
      2  -0.193887D+00 -0.213188D+01  0.335892D+01  0.174955D+02  0.300425D+01
      3   0.810235D+01 -0.202110D+02 -0.257101D+01 -0.403299D-01  0.511578D+00
                41            42            43            44            45 
      1   0.223127D+01 -0.145690D+01  0.307515D+01  0.321985D+01 -0.192098D+01
      2   0.516830D+01  0.100669D+02  0.179474D+02  0.105447D+02  0.633965D+01
      3   0.127321D+02 -0.552013D+01 -0.233772D+01 -0.507321D+01 -0.120853D+02
                46            47            48            49            50 
      1   0.475837D+01 -0.267648D+00  0.352863D+01 -0.215710D+01 -0.322068D+01
      2   0.502170D+01 -0.114530D+01 -0.185506D+02 -0.126307D+01 -0.402909D+01
      3   0.234944D+02 -0.353777D+01 -0.191976D+01 -0.121598D+01 -0.135909D+02
                51            52            53            54            55 
      1   0.265957D+01  0.686477D+01  0.709917D+01  0.110106D+01  0.155696D+01
      2  -0.122755D+02 -0.379149D+02 -0.159788D+02  0.121727D-01 -0.117180D+02
      3   0.465290D+01  0.222771D+00  0.339885D+01  0.805360D+01  0.186766D+02
                56            57            58            59            60 
      1  -0.111237D+02  0.358713D+01 -0.931952D+01 -0.413936D+01 -0.314207D+01
      2  -0.273474D+01  0.156990D+02  0.177486D+02  0.471070D+01 -0.514971D+01
      3   0.604478D+01 -0.473031D+01  0.113198D+01  0.300691D+01  0.373396D+01
                61            62            63            64            65 
      1  -0.141380D+02  0.921457D+01 -0.778914D+01 -0.632895D+01 -0.625911D+01
      2   0.881914D+01  0.555123D+01  0.594479D+01  0.230127D+02  0.697403D+01
      3   0.331399D+01 -0.625139D+01  0.924909D+01 -0.156481D+02 -0.828573D+00
                66            67            68            69            70 
      1   0.877651D-01  0.241549D+01 -0.122258D+02  0.542435D+01 -0.616372D+01
      2   0.408829D+01 -0.292579D+01  0.597104D+01  0.501014D+01  0.284399D+01
      3  -0.697797D+00  0.475759D+01  0.768712D+01 -0.126409D+02 -0.136168D+01
                71            72            73            74            75 
      1   0.946052D+01 -0.903520D+01  0.255078D+02 -0.149770D+02  0.960019D+01
      2   0.816467D+01  0.129891D+02  0.454276D+01 -0.242282D+01  0.342771D+01
      3  -0.667489D+01 -0.421981D+00 -0.269183D+02  0.404944D+01 -0.735093D+01
                76            77            78            79            80 
      1   0.606707D+01  0.414751D+02  0.309412D+01  0.904716D+01  0.657502D+01
      2  -0.813459D+01  0.639609D+01  0.596462D+01  0.270649D+01  0.569083D+01
      3  -0.131915D+01 -0.344760D+02 -0.538724D+01 -0.113104D+02  0.376812D+01
                81            82            83            84            85 
      1   0.171427D+02  0.300645D+01  0.310466D-01 -0.118049D+02 -0.852356D+01
      2  -0.585025D+01 -0.308827D+01  0.373017D+01  0.584433D+01  0.203883D+01
      3  -0.152621D+02  0.758969D+01 -0.164797D+02 -0.710444D+01 -0.141357D+00
                86            87            88            89            90 
      1  -0.137779D+02 -0.528388D+01 -0.153076D+02  0.702064D+01 -0.878167D+01
      2  -0.690680D+00  0.740154D+00  0.145417D+01  0.182378D+01 -0.301571D+01
      3  -0.179744D+01  0.427355D+01 -0.685092D+01 -0.100837D+00  0.135507D+02
                91            92            93            94            95 
      1  -0.257760D+01  0.783194D+00  0.118608D+02 -0.760390D+01  0.131261D+02
      2  -0.237588D+01 -0.401654D+01  0.545093D+01 -0.670161D+00 -0.126760D+01
      3  -0.791622D+01 -0.167723D+02  0.739534D+01 -0.959323D-03  0.262624D+01
                96            97            98            99           100 
      1  -0.548280D+01  0.157454D+02  0.724098D+01  0.912067D+01 -0.257908D+02
      2  -0.804832D+00  0.488883D+00 -0.226347D+01 -0.303494D+01  0.118558D+02
      3   0.348416D+01  0.584770D+01 -0.615313D+00 -0.133870D+02  0.295404D+02
               101           102           103           104           105 
      1  -0.128972D+02 -0.924614D+01  0.446764D+01 -0.405609D+02  0.434847D+01
      2   0.426689D+01  0.291264D+01  0.587383D+01  0.798345D+01 -0.511512D+01
      3   0.268442D+01  0.569476D+01 -0.147104D+01  0.342322D+02 -0.536110D+01
               106           107           108           109           110 
      1  -0.949384D+01  0.387394D+01 -0.192393D+02  0.397105D+01  0.147276D+02
      2   0.270114D+01 -0.632673D+01 -0.306521D+01 -0.233850D+02  0.117262D+02
      3   0.125074D+02  0.485694D+01  0.169382D+02 -0.121445D+02 -0.141296D+02
               111           112           113           114           115 
      1  -0.691373D+00  0.299363D+02  0.252448D+01 -0.389123D+01 -0.392701D+01
      2  -0.170336D+01  0.325241D+02 -0.112518D+02 -0.125618D+02  0.916588D+01
      3  -0.559612D+01 -0.653478D+00 -0.126082D+02 -0.737791D+01  0.265127D+01
               116           117           118           119           120 
      1  -0.937511D+01 -0.103643D+02  0.119079D+02  0.125774D+02  0.750120D+01
      2  -0.176567D+01 -0.183705D+02 -0.309865D+02 -0.590416D+01 -0.609540D+01
      3   0.623158D+01 -0.258714D+01 -0.159068D+02 -0.121532D+02 -0.559354D+01
               121           122           123           124           125 
      1  -0.546823D+01  0.213206D+01 -0.230651D+01 -0.101086D+02 -0.614909D+01
      2  -0.305454D+02 -0.747271D+01  0.193738D+02 -0.335877D+02  0.808478D+01
      3   0.210483D+01  0.180577D+01  0.123683D+02  0.796117D+00  0.146131D+02
               126           127           128           129           130 
      1   0.225898D+01 -0.600630D+01 -0.124451D+02 -0.288343D+01 -0.106747D+02
      2   0.989257D+01 -0.143192D+02  0.466360D+01  0.190495D+02 -0.156714D+02
      3   0.559413D+01 -0.145164D+02  0.749669D+01  0.461991D+01  0.271796D+01
               131           132           133           134           135 
      1   0.351460D+01 -0.368188D+01  0.166315D+02  0.845812D+01  0.840571D+01
      2   0.478677D+01  0.504761D+01  0.648188D+01 -0.653573D+01  0.609749D+01
      3  -0.233929D+01  0.274717D+01 -0.535341D+01 -0.584206D+01 -0.840514D+01
               136           137           138           139           140 
      1   0.620908D+01 -0.581741D+01  0.524068D+00  0.512791D+01  0.145581D+02
      2   0.226950D+02 -0.675023D+01  0.374549D+01  0.381492D+01  0.508544D+01
      3   0.140749D+02 -0.107901D+01  0.508379D+00  0.285303D+01 -0.101489D+02
               141           142           143           144           145 
      1   0.599249D+01  0.727917D+01  0.110445D+02  0.100178D+02  0.428015D+01
      2  -0.864481D+01  0.302269D+01 -0.859051D+01  0.130542D+02  0.539370D+01
      3  -0.122643D+02  0.944518D+00 -0.677233D+01 -0.368117D+00  0.105565D+01
               146           147           148           149           150 
      1   0.501915D+01  0.253867D+01  0.518984D+01  0.275649D+00  0.162092D+00
      2   0.426645D+01  0.913002D+01 -0.704511D+01  0.312912D+01  0.802964D+01
      3   0.268476D+01 -0.100712D+02  0.132584D+02 -0.613699D+01 -0.263953D+01
               151           152           153           154           155 
      1  -0.348323D+01  0.103465D+02  0.589076D+01 -0.393280D+01 -0.265739D+01
      2  -0.563371D+01  0.162072D+02  0.157212D+02  0.979520D+01 -0.127309D+02
      3  -0.114869D+02 -0.575045D+01 -0.111458D+02 -0.148015D+02 -0.617954D+01
               156           157           158           159           160 
      1   0.483382D+01 -0.519378D+01  0.153596D+01 -0.515542D+01  0.723824D+01
      2  -0.180375D+01 -0.176643D+02  0.797851D+01 -0.109165D+02 -0.675684D+01
      3   0.165020D+02 -0.461428D+01  0.518914D+01 -0.391694D+01  0.209218D+02
               161           162           163           164           165 
      1  -0.316656D+00  0.231427D+01  0.749850D+00 -0.133628D+01 -0.157865D+01
      2  -0.119867D+02  0.527071D+01 -0.267637D+01  0.175091D+02  0.370336D+01
      3  -0.431379D+01  0.743162D+01  0.168507D+02  0.666996D+01 -0.167617D+02
               166           167           168           169           170 
      1  -0.177788D+01 -0.123493D+01 -0.304122D+01 -0.335499D+01 -0.312639D-01
      2   0.278384D+02 -0.334356D+01  0.942762D+01 -0.457654D+01  0.999646D+01
      3   0.185999D+02 -0.389150D+01  0.559004D+01 -0.268924D+02  0.380834D+01
               171           172           173           174           175 
      1  -0.559396D+00 -0.172902D+01  0.277138D+01  0.553476D+00  0.236486D+01
      2  -0.328795D+01  0.607289D+01 -0.794133D+01 -0.492115D+01 -0.457960D+01
      3  -0.103833D+02  0.623170D+00 -0.949507D-01  0.898925D+01  0.118362D+02
               176           177           178           179           180 
      1  -0.987333D+01  0.134951D+01  0.541423D+01  0.119673D+02  0.274235D+01
      2   0.123424D+02 -0.717102D+01 -0.192420D+02 -0.132220D+02 -0.467015D+01
      3   0.140813D+02 -0.103731D+02  0.105967D+02 -0.916329D+01  0.107754D+02
               181           182           183           184           185 
      1   0.175108D+01  0.152940D+02  0.340466D+00 -0.218722D+02 -0.155771D+01
      2   0.475555D+02  0.838706D+00  0.274605D+02  0.277100D+01 -0.382689D+01
      3  -0.202102D+01 -0.186524D+02 -0.104713D+01  0.744442D+02 -0.123157D+01
               186           187           188           189           190 
      1  -0.483300D+02 -0.133092D+01  0.239887D+02 -0.929082D+00  0.252716D+01
      2  -0.491110D+00 -0.473090D+02  0.110947D+01 -0.212454D+02  0.262410D+01
      3   0.512473D+01 -0.321547D+01 -0.205318D+02  0.822646D+00 -0.111123D+02
               191           192           193           194           195 
      1  -0.560450D+01  0.365679D+00 -0.702442D+01  0.750055D+01 -0.922699D+01
      2   0.175111D+00  0.631443D+01  0.302644D+00  0.975356D+00 -0.262653D+01
      3  -0.960199D+01 -0.172500D+01  0.776843D+01  0.677818D+01  0.692162D+01
               196           197           198           199           200 
      1   0.627384D+00  0.106131D+02 -0.430846D+01 -0.391011D+01 -0.648351D+01
      2  -0.789745D+01  0.130361D-01  0.109920D+01  0.401802D+01 -0.634929D+00
      3  -0.331435D+01  0.522576D+01 -0.453971D+00  0.971401D+01 -0.109234D+02
               201           202           203           204           205 
      1  -0.906171D+00 -0.811249D+01 -0.599794D+01 -0.711123D+01 -0.296759D+00
      2   0.817953D+01 -0.175084D+01  0.166658D+01  0.305360D+01 -0.646549D+01
      3   0.293982D+01  0.411922D+01 -0.612062D+01  0.774491D+01  0.567976D+01
               206           207           208           209           210 
      1   0.117536D+02  0.367933D+01  0.175633D+01 -0.270725D+01  0.198485D+00
      2  -0.383270D+00  0.776145D+00  0.102876D+02 -0.443168D+01 -0.832034D+01
      3   0.662583D+01  0.755828D-01 -0.166009D+01  0.319568D-03  0.302904D+01
               211           212           213           214           215 
      1  -0.119679D+01  0.143257D+01  0.766086D+00  0.158321D+01  0.258102D+01
      2  -0.645704D+01  0.226887D+01  0.158202D+01 -0.124363D+02  0.848055D+00
      3   0.313290D+01 -0.699095D+00 -0.846211D+00  0.380073D+01  0.728036D+00
               216           217           218           219           220 
      1  -0.227282D+01 -0.101808D+01  0.179759D+01 -0.493378D+00  0.218212D+01
      2   0.922024D+01 -0.124356D+00  0.777672D+00 -0.106853D+01  0.248294D+01
      3  -0.229631D+01  0.107497D+01 -0.182789D+01 -0.186255D+00  0.120178D+01
               221           222           223           224           225 
      1  -0.852432D+01  0.527448D+01 -0.310946D+00  0.751926D+01 -0.473378D+01
      2   0.359951D+01 -0.467361D+01 -0.260464D+01 -0.475896D+01  0.736461D+01
      3   0.539376D+01 -0.563050D+01 -0.619490D+00 -0.497785D+01  0.494756D+01
               226           227           228           229           230 
      1   0.355428D+01  0.645433D-01  0.240484D+01 -0.550524D+00  0.103231D+01
      2  -0.789403D+01  0.130934D+00 -0.605678D+01 -0.302224D+01 -0.408617D+01
      3  -0.172405D+01  0.393308D+00 -0.272519D+01 -0.201018D+01 -0.251170D+01
               231           232           233           234           235 
      1   0.174897D+01 -0.188813D+01  0.103141D+01  0.127782D+02 -0.182991D+01
      2  -0.232854D+01 -0.487632D+01  0.449388D+01 -0.246792D+02  0.243089D+01
      3   0.279580D+01 -0.531450D+01  0.177816D+01 -0.298294D+01 -0.377427D+01
               236           237           238           239           240 
      1  -0.910286D+00  0.377014D+00  0.466642D+00 -0.709849D+01 -0.340538D+01
      2   0.354422D+00 -0.345961D+00 -0.381036D+00 -0.566899D+01  0.371504D+01
      3  -0.786255D+00  0.936500D+00  0.576807D+01 -0.283201D+02  0.191433D+01
               241           242           243           244           245 
      1   0.339198D+00 -0.115616D+01  0.322260D+00  0.165669D+01 -0.923637D+00
      2  -0.606697D+00  0.322478D+01 -0.254191D+01 -0.111197D+02 -0.363015D+01
      3   0.136491D+01 -0.137344D+01 -0.319802D+01 -0.385926D+01 -0.584740D+01
               246           247           248           249           250 
      1  -0.292880D+01  0.566586D+00  0.207073D+00 -0.151967D+01 -0.494629D+01
      2   0.123051D+02 -0.353088D+01 -0.532607D+01  0.666976D+01  0.172960D+02
      3   0.148725D+01 -0.406467D+01 -0.394389D+01  0.490199D+01  0.337125D+00
               251           252           253           254           255 
      1   0.129806D+01  0.446574D+01 -0.340247D+01 -0.100041D+01 -0.260078D+01
      2   0.981607D+01 -0.214585D+02  0.978866D+01  0.401443D+01  0.101094D+02
      3   0.834501D+01 -0.487259D+01 -0.556970D+01 -0.604056D+01 -0.601380D+00
               256           257           258           259           260 
      1  -0.185451D+01 -0.173057D+01 -0.343509D+01 -0.394151D+01 -0.148534D+01
      2   0.512580D+01  0.627793D+01  0.663073D+01  0.150211D+02  0.881250D+01
      3  -0.300975D+01 -0.584949D+01 -0.463349D+01 -0.720063D+00 -0.103871D+02
               261           262           263           264           265 
      1  -0.533694D+01  0.148150D+01  0.137943D+01 -0.111637D+01  0.542287D+00
      2   0.180228D+02 -0.107028D+02 -0.402436D+01 -0.806994D+01 -0.295691D+01
      3  -0.462825D+01  0.120811D+02  0.585540D+01  0.268825D+01  0.718788D+01
               266           267           268           269           270 
      1  -0.261785D+00 -0.126218D+01  0.844068D-01  0.232861D+01 -0.266762D+01
      2  -0.592179D+01 -0.597688D+01 -0.100194D+02 -0.821442D+01 -0.200782D+02
      3   0.557468D+01  0.531750D+01  0.518059D+01  0.929790D+01  0.874997D+01
               271           272           273           274           275 
      1   0.807439D+00 -0.213230D+01  0.157812D+01 -0.947769D+00  0.744824D+00
      2  -0.981460D+00 -0.519940D+00  0.630487D+01 -0.419157D-01 -0.476545D+00
      3   0.947474D+01 -0.129783D+02 -0.440824D+00 -0.847798D+01  0.712976D+01
               276           277           278           279           280 
      1  -0.149043D+01  0.401929D+00  0.366700D+00  0.384286D-01  0.276904D+01
      2  -0.404075D+01  0.324137D+01 -0.368510D+01 -0.139030D+01  0.181745D+01
      3   0.123793D+01 -0.581986D+00  0.430468D+00  0.339914D+01 -0.443198D+01
               281           282           283           284           285 
      1   0.430583D+00  0.405947D+01  0.121282D+01 -0.132213D+00  0.581111D+00
      2  -0.932981D+00  0.101661D+02 -0.134312D+01  0.979484D+00  0.193819D+01
      3  -0.418359D+01 -0.129546D+01 -0.532127D+01  0.301964D+01 -0.299743D+01
               286           287           288           289           290 
      1   0.386405D+01  0.242472D+01  0.535831D+01 -0.254740D+01 -0.227355D+01
      2   0.684701D+01 -0.119419D+01  0.144094D+02  0.136084D+01 -0.942651D-01
      3  -0.638241D+00 -0.395569D+01 -0.108072D+01  0.727122D+01  0.523314D+01
               291           292           293           294           295 
      1  -0.612118D+00  0.147489D+01 -0.846900D+01 -0.391539D+01 -0.804110D+00
      2  -0.403023D+00  0.298586D+01 -0.128708D+01 -0.448524D+01 -0.106154D+01
      3   0.140063D+01  0.236032D+00  0.329517D+02 -0.260091D+01  0.319008D+01
               296           297           298           299           300 
      1  -0.135929D+00 -0.213158D+01 -0.527652D+00  0.452237D+01 -0.313187D+01
      2  -0.286825D+01 -0.148203D+01 -0.262384D+01 -0.155427D+01  0.694612D+00
      3   0.179116D+01  0.388963D+01  0.113095D+02  0.593153D+01  0.367163D+01
               301           302           303           304           305 
      1  -0.129328D+01  0.609658D+01 -0.660204D+01 -0.134039D+01 -0.437430D+01
      2  -0.220545D+01 -0.415625D+00  0.636153D+00 -0.154272D+01  0.448783D+00
      3   0.115037D+02  0.561908D+01  0.323852D+01  0.227872D+01  0.145572D+01
               306           307           308           309           310 
      1  -0.276461D+00 -0.458145D+01  0.142475D+01  0.780790D+01  0.144914D+01
      2   0.836304D+00  0.810562D+01 -0.128722D+01 -0.193989D+01  0.469121D+00
      3   0.575273D+00 -0.170490D+02  0.359612D+01  0.643403D+01  0.304125D+01
               311           312           313           314           315 
      1  -0.388339D+01 -0.216206D+01  0.542009D+01  0.876416D-02 -0.822721D+01
      2   0.130882D+01  0.602335D+00 -0.593495D+01  0.196427D+01  0.281818D+01
      3  -0.239397D+01 -0.238663D+01  0.880296D+01 -0.451654D+01 -0.740554D+01
               316           317           318           319           320 
      1   0.436817D+01  0.125838D+01 -0.804123D+01  0.130840D+01  0.384698D+01
      2   0.713599D+01  0.122169D+01 -0.144778D+01 -0.540362D+00  0.819908D+00
      3   0.164352D+02  0.360612D+01 -0.636370D+01  0.281979D+01  0.183500D+01
               321           322           323           324           325 
      1  -0.197608D+01 -0.503311D+01 -0.120897D+00  0.821647D+01  0.100874D+01
      2  -0.488689D+00 -0.517978D+01 -0.198652D+01  0.245580D+01 -0.269510D+01
      3  -0.207154D+01 -0.783741D+01 -0.438539D+01  0.711299D+01 -0.110420D+02
               326           327           328           329           330 
      1   0.434043D+01  0.275913D+01 -0.160155D+01 -0.572131D+01 -0.665721D+01
      2   0.123205D+01  0.667435D+00  0.252712D+01 -0.331557D+00 -0.426938D+00
      3   0.595319D+01 -0.364970D+01  0.112444D+02 -0.610244D+01  0.361704D+01
               331           332           333           334           335 
      1   0.109074D+01 -0.429801D+01  0.602777D+00 -0.212138D+01 -0.262820D+01
      2  -0.178050D+01 -0.214927D+00  0.742364D+00  0.126481D+02  0.472457D+01
      3  -0.271708D+01  0.141475D+01 -0.690600D+00  0.202013D+01 -0.279707D+00
               336           337           338           339           340 
      1  -0.577305D+00 -0.115163D+01 -0.119981D+01  0.977949D+00 -0.170434D+01
      2  -0.748974D+01  0.652460D+01  0.205321D+01 -0.103953D+01 -0.123983D+02
      3  -0.278836D+01  0.272968D+01  0.492624D+00 -0.612467D+00 -0.332793D+01
               341           342           343           344           345 
      1   0.248722D+01  0.221396D+01  0.142247D+01  0.134598D+01  0.417093D+00
      2  -0.440774D+00  0.834068D+01 -0.165372D-01 -0.101193D+01 -0.121331D+01
      3   0.886234D+00  0.186052D+01 -0.118499D+01 -0.155110D+01  0.848786D-02
               346           347           348           349           350 
      1   0.165440D+01  0.890050D+01  0.544968D+01  0.679164D+00  0.758086D+01
      2  -0.278423D+01  0.354235D+01  0.457025D+01 -0.283040D+01  0.454598D+01
      3   0.150326D+01 -0.535245D+01 -0.528960D+01  0.466112D+00 -0.493702D+01
               351           352           353           354           355 
      1   0.495607D+01  0.144574D+01 -0.285821D+01  0.257049D+01 -0.221026D+01
      2   0.690672D+01  0.230540D+01 -0.215990D+01  0.297670D+01  0.125558D+01
      3  -0.505077D+01 -0.166774D+01 -0.581368D+01  0.200396D+01 -0.226391D+01
               356           357           358           359           360 
      1   0.455373D+01 -0.501960D+01  0.157504D+01 -0.302244D+01  0.191189D+01
      2  -0.204331D-01 -0.562135D+01  0.189293D+00 -0.494994D+01  0.118872D+01
      3   0.171255D+02 -0.129836D+01 -0.236713D+00 -0.421100D+01  0.418111D+01
               361           362           363           364           365 
      1  -0.505913D+00 -0.116804D+01 -0.274303D+01  0.950126D+00 -0.130431D+01
      2  -0.954628D+01 -0.543111D+01 -0.666171D+01 -0.463003D+00 -0.751004D+01
      3   0.117440D+02  0.481969D+01  0.533479D+01  0.448863D+01  0.738182D+01
               366           367           368           369           370 
      1  -0.290994D+01  0.114990D+01 -0.128680D+01 -0.807565D+01  0.536365D+00
      2  -0.595239D+01 -0.832819D+01 -0.114325D+02 -0.168964D+02 -0.663585D+01
      3   0.540584D+01  0.864055D+01  0.897363D+01  0.102456D+02  0.465514D+01
               371           372           373           374           375 
      1  -0.221542D+01  0.215875D+00 -0.573583D+00  0.241494D+01 -0.502346D-01
      2   0.486451D+01  0.110593D+02  0.489703D+01 -0.565881D+01 -0.594341D+01
      3  -0.724781D+01 -0.519661D+01 -0.432861D+01  0.912956D+01  0.606994D+01
               376           377           378           379           380 
      1  -0.702377D-01  0.252534D+01 -0.103136D+01 -0.291563D+01  0.333947D+01
      2   0.841466D+01 -0.409886D+01 -0.130856D+02 -0.114290D+02  0.583851D+01
      3  -0.460686D+01  0.548911D+01  0.376419D+01 -0.403593D+01  0.542558D+01
               381           382           383           384           385 
      1  -0.208797D+01  0.361089D+01 -0.619729D+01  0.221222D+01 -0.261968D+01
      2  -0.484525D+01  0.982623D+01 -0.925772D+01  0.115329D+02 -0.590024D+01
      3  -0.332353D+01  0.865837D+01 -0.126853D+02  0.615241D+01 -0.380229D+01
               386           387           388           389           390 
      1   0.498752D+01 -0.364892D+01  0.809495D+00 -0.500994D-02 -0.128958D+01
      2   0.789891D+01 -0.151527D+02 -0.822322D+01 -0.402799D+01  0.804641D+01
      3   0.644409D+01 -0.615637D+01 -0.155925D+02 -0.127959D+02  0.281649D+01
               391           392           393           394           395 
      1   0.125039D+01 -0.240663D+00 -0.169646D+01 -0.474806D+00  0.834676D+00
      2  -0.802159D+01 -0.223725D+01  0.455930D+01  0.805306D+01  0.243276D+01
      3  -0.136314D+02 -0.141597D+02  0.943647D+00  0.671301D+01  0.390263D+01
               396           397           398           399           400 
      1   0.103698D+01 -0.117832D+01  0.805801D+00 -0.130488D-01  0.867349D+00
      2  -0.588689D+01  0.791529D+01 -0.388405D+01  0.654185D+01 -0.833510D+01
      3  -0.180782D+01  0.599379D+01 -0.745668D+01  0.496612D+01 -0.103998D+02
               401           402           403           404           405 
      1  -0.125808D+01 -0.988604D+00 -0.345153D+00  0.233660D+01  0.187765D-01
      2   0.585055D+01 -0.115666D+02  0.734899D+01 -0.662728D+01  0.151841D+02
      3   0.155512D+02 -0.736923D+01  0.914362D+01 -0.921498D+01  0.750326D+01
               406           407           408           409           410 
      1   0.598837D+01 -0.301695D+01  0.115643D+01 -0.770895D+00  0.842740D+01
      2  -0.389368D+01  0.174359D+01 -0.135966D+01 -0.122695D+01 -0.889306D+01
      3  -0.671131D+01  0.285875D+01 -0.510669D+01  0.103411D+01 -0.216064D+02
               411           412           413           414           415 
      1  -0.612204D+01  0.836819D+00 -0.481573D+01  0.545834D+01 -0.207539D+01
      2   0.594341D+01  0.700388D+00  0.851424D+01 -0.872527D+01  0.450813D+01
      3   0.621126D+01 -0.886692D+01  0.102868D+02 -0.970615D+01 -0.136351D+01
               416           417           418           419           420 
      1  -0.736874D+00 -0.237457D+01  0.965963D-01  0.125183D+01 -0.177946D+01
      2   0.375711D+01  0.624478D+01  0.186512D+01  0.379151D+01  0.597851D+01
      3  -0.469275D+01 -0.308369D+01 -0.394331D+01 -0.856732D+01 -0.510425D+01
               421           422           423 
      1  -0.190165D+01  0.229069D+00 -0.566144D+01
      2   0.487513D+01  0.921166D+01  0.194632D+02
      3  -0.280618D+01 -0.790313D+01 -0.904510D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.315641D+02  0.837901D+01  0.974461D+01  0.150518D+02  0.157542D+02
      2   0.181777D+02 -0.605870D+01 -0.432657D+00 -0.141803D+02 -0.354977D+02
      3   0.133864D+02 -0.232031D+01 -0.931196D+01 -0.871523D+00  0.197435D+02
      4   0.124192D+01 -0.287199D+01  0.110229D+01 -0.754614D+01 -0.426095D+02
      5   0.616292D+01 -0.164884D+01  0.848737D+01  0.531369D+00  0.292095D+01
      6  -0.178175D+01  0.981562D-01  0.417714D+01  0.342673D+01  0.773534D+01
                 6             7             8             9            10 
      1   0.194998D+01  0.107761D+02  0.295516D+01  0.145951D+02  0.222137D+02
      2   0.508824D+01 -0.512827D+01 -0.135334D+01  0.374584D+01 -0.196544D+02
      3  -0.703822D+01 -0.564783D+01 -0.160182D+01 -0.183410D+02 -0.255930D+01
      4   0.567640D+01  0.849252D+01  0.280835D+01  0.429030D+01  0.282593D+02
      5   0.405092D+01  0.479866D+01  0.309372D+00  0.164546D+02 -0.149175D+01
      6   0.156036D+01  0.121219D+00  0.597817D+00  0.891711D+01 -0.363814D+01
                11            12            13            14            15 
      1   0.109832D+02 -0.372156D+01  0.468160D+02  0.728109D+01 -0.103289D+02
      2   0.960400D+01  0.167821D+01 -0.131298D+02 -0.117792D+02  0.379753D+01
      3  -0.205872D+02  0.204335D+01 -0.336862D+02  0.449814D+01  0.653136D+01
      4   0.135135D+02 -0.764751D+01  0.180590D+02  0.137878D+02 -0.798568D+00
      5  -0.462315D+01  0.904570D+01 -0.157842D+01 -0.245049D+01  0.218436D+01
      6   0.649383D+01 -0.130757D+01 -0.534279D+00 -0.256999D+01  0.571812D+01
                16            17            18            19            20 
      1  -0.217056D+02  0.411095D+01  0.831886D+01  0.632789D+02 -0.168458D+02
      2   0.468420D+01 -0.914241D+01 -0.303805D+01 -0.351843D+02  0.161548D+02
      3   0.170214D+02  0.503146D+01 -0.528081D+01 -0.280946D+02  0.690949D+00
      4  -0.244648D+01 -0.856405D+01  0.988970D+01 -0.275087D+02  0.106928D+02
      5   0.165567D+02  0.707539D+01 -0.903421D+01  0.404987D+02 -0.850988D+01
      6   0.623938D+01  0.230630D+01 -0.397089D+01 -0.982532D+01  0.564118D+01
                21            22            23            24            25 
      1   0.146085D+02 -0.490075D+02  0.553093D+01  0.106846D+02  0.248501D+02
      2  -0.177779D+02  0.159433D+02  0.864133D+01 -0.737642D+01 -0.648184D+01
      3   0.316948D+01  0.330642D+02 -0.141723D+02 -0.330815D+01 -0.183683D+02
      4  -0.744444D+01  0.543709D+01 -0.121273D+02  0.533073D+01  0.139825D+02
      5   0.135864D+02  0.551992D+01  0.733290D+01  0.918335D+00  0.143125D+01
      6  -0.494908D+01  0.661338D+01 -0.221773D+01 -0.173633D+01  0.822607D+00
                26            27            28            29            30 
      1   0.815102D+01 -0.350403D+01 -0.387198D+02  0.486720D+01 -0.204053D+02
      2  -0.782532D+01 -0.204797D+01  0.289251D+02 -0.919588D+01  0.157612D+02
      3  -0.325699D+00  0.555200D+01  0.979468D+01  0.432868D+01  0.464409D+01
      4  -0.763850D-01 -0.308945D+01  0.839924D+01  0.330121D+01  0.104769D+02
      5  -0.149577D+00  0.319655D+01 -0.407134D+02  0.104408D+02 -0.327831D+02
      6   0.947236D-01  0.884802D+01  0.992818D+01 -0.210212D+01  0.740753D+01
                31            32            33            34            35 
      1   0.234046D+01  0.927793D+01  0.271721D+01 -0.333640D+02  0.127911D+02
      2   0.540975D+01 -0.214199D+02 -0.135715D-01  0.266133D+02 -0.942383D+01
      3  -0.775021D+01  0.121419D+02 -0.270364D+01  0.675070D+01 -0.336731D+01
      4  -0.921559D+01  0.353519D+02 -0.385771D+01  0.158531D+02  0.493573D+01
      5   0.682239D+01 -0.629248D+01 -0.632027D+01 -0.541523D+02 -0.788108D+00
      6  -0.437611D+01  0.722726D+01  0.138859D+01  0.114426D+02 -0.428307D+00
                36            37            38            39            40 
      1  -0.348816D+02 -0.728745D+02  0.464270D+02  0.132743D+02  0.519417D+02
      2   0.258003D+02  0.324056D+02 -0.210076D+02 -0.353206D+01 -0.254560D+02
      3   0.908124D+01  0.404689D+02 -0.254194D+02 -0.974228D+01 -0.264857D+02
      4  -0.395172D-01  0.519861D+02 -0.119070D+02 -0.441300D+01 -0.167248D+02
      5  -0.231998D+02  0.143014D+02 -0.479694D+01  0.228550D+02 -0.250489D+01
      6   0.347762D+01 -0.779337D+01  0.195900D+01 -0.435261D+01  0.119566D+01
                41            42            43            44            45 
      1  -0.117960D+02  0.148685D+01  0.730141D+01  0.268335D+01  0.319923D+02
      2   0.796942D+01  0.807190D+00 -0.462090D+00  0.148390D+01 -0.155604D+02
      3   0.382655D+01 -0.229404D+01 -0.683932D+01 -0.416725D+01 -0.164319D+02
      4  -0.124055D+02  0.668289D+01 -0.107946D+01  0.650086D+01  0.152772D+02
      5   0.701104D+01  0.158988D+02  0.309161D+02  0.160748D+02  0.652127D+01
      6   0.350598D+00 -0.327523D+01 -0.265907D+01 -0.248477D+01 -0.501331D+01
                46            47            48            49            50 
      1   0.133975D+02 -0.299754D+02 -0.932857D+00 -0.450272D+02 -0.101335D+02
      2  -0.549995D+01  0.171368D+02 -0.534355D+01  0.249407D+02  0.978695D+01
      3  -0.789751D+01  0.128386D+02  0.627641D+01  0.200864D+02  0.346550D+00
      4  -0.330207D+02 -0.114872D+02  0.315512D+01 -0.174287D+02  0.137070D+02
      5   0.583284D+01  0.541444D+01 -0.389955D+02  0.458732D+01 -0.358683D+01
      6   0.576169D+01 -0.382186D-01 -0.997243D+01  0.125580D+01 -0.313205D+01
                51            52            53            54            55 
      1   0.355044D+00  0.813153D+01 -0.769745D+00 -0.515542D+02 -0.402473D+01
      2  -0.396182D+01 -0.126857D+02 -0.405314D+01  0.270289D+02 -0.941635D+01
      3   0.360677D+01  0.455419D+01  0.482288D+01  0.245253D+02  0.134411D+02
      4  -0.369938D+01  0.189939D+01 -0.479189D+01 -0.394971D+02  0.136834D+02
      5  -0.251567D+02 -0.670537D+02 -0.338050D+02  0.112948D+02  0.446377D+01
      6  -0.743034D+01 -0.186880D+02 -0.729823D+01  0.366962D+01 -0.298616D+01
                56            57            58            59            60 
      1   0.789843D+01 -0.209813D+02 -0.407040D+01 -0.148145D+01  0.405558D+01
      2  -0.869100D+01 -0.114787D+02 -0.282815D+01  0.778204D+01  0.204919D+01
      3   0.792570D+00  0.324600D+02  0.689854D+01 -0.630059D+01 -0.610477D+01
      4  -0.234041D+01 -0.276253D+00  0.498377D+01  0.378005D+01 -0.234071D+01
      5   0.467743D-01  0.246938D+02 -0.871899D+00 -0.107818D+01  0.719930D+01
      6   0.231294D+01  0.670186D+01 -0.494228D+00  0.377923D+01 -0.821983D+01
                61            62            63            64            65 
      1   0.327008D+01 -0.146236D+02 -0.421712D+01 -0.190671D+01 -0.604440D+01
      2  -0.207660D+02  0.843751D+01 -0.264768D+02  0.527773D+01 -0.332700D+01
      3   0.174960D+02  0.618605D+01  0.306940D+02 -0.337102D+01  0.937140D+01
      4  -0.111060D+02  0.388088D+01  0.574545D+00 -0.168366D+00  0.972671D+01
      5   0.262931D+02 -0.225334D+00  0.295907D+02  0.585512D+01 -0.278228D+01
      6  -0.427540D+01 -0.444118D+01  0.191196D+01 -0.142994D+01 -0.127622D+00
                66            67            68            69            70 
      1   0.514436D+01 -0.736864D+01  0.595989D+01 -0.242714D+02 -0.172907D+01
      2  -0.798570D+01  0.261850D+00 -0.161771D+02 -0.557066D+01 -0.500113D+01
      3   0.284134D+01  0.710679D+01  0.102172D+02  0.298421D+02  0.673020D+01
      4  -0.336257D+01  0.407094D+01  0.128508D+01  0.146691D+01 -0.392565D+01
      5   0.394769D+01  0.180263D+00  0.101507D+01  0.174677D+02  0.227359D+01
      6   0.131900D+02  0.379479D+01  0.513029D+01  0.151639D+02  0.366601D+01
                71            72            73            74            75 
      1  -0.209225D+02 -0.210632D+02 -0.206549D+01 -0.349697D+01 -0.474776D+01
      2   0.111139D+02 -0.145723D+02  0.117496D+02 -0.642057D+01  0.283141D+01
      3   0.980855D+01  0.356355D+02 -0.968408D+01  0.991754D+01  0.191634D+01
      4   0.858869D+01  0.815379D+01 -0.706721D+01 -0.199453D-01  0.158238D+02
      5   0.722789D+01  0.210027D+02  0.474212D+01  0.122908D+02 -0.107832D+01
      6   0.151015D+02  0.183268D+02  0.113556D+02  0.613256D+01  0.344029D+01
                76            77            78            79            80 
      1   0.124548D+02 -0.345895D+02 -0.938657D+01 -0.101234D+01  0.336206D+01
      2  -0.588401D+01  0.506091D+02 -0.103741D+01  0.885359D+00  0.183653D+01
      3  -0.657075D+01 -0.160197D+02  0.104240D+02  0.126978D+00 -0.519859D+01
      4   0.569912D+01  0.231808D+02  0.364395D+01  0.741196D+01  0.777193D+01
      5   0.194785D+01  0.529032D+01  0.482578D+01 -0.209448D+01  0.175339D+01
      6   0.152822D+01  0.227771D+02  0.972770D+01  0.623762D+01  0.892088D+01
                81            82            83            84            85 
      1  -0.859601D+01  0.854393D+01  0.166199D+02 -0.742064D+00  0.114984D+02
      2   0.972470D+01 -0.137977D+02 -0.384386D+02 -0.580021D+01 -0.230322D+02
      3  -0.112869D+01  0.525372D+01  0.218187D+02  0.654227D+01  0.115337D+02
      4  -0.254582D+01 -0.884909D+00 -0.217373D+02 -0.130550D+02 -0.140138D+02
      5   0.556999D+01  0.922297D+00 -0.780868D+01 -0.427258D+01 -0.348112D+01
      6   0.343479D+00 -0.163114D+02 -0.750913D+01  0.149284D+02 -0.267443D+01
                86            87            88            89            90 
      1   0.274073D+02  0.585019D+01 -0.209885D+01 -0.414909D+01  0.396810D+01
      2  -0.541015D+02 -0.108469D+02 -0.136474D+01  0.404978D+01 -0.410505D+01
      3   0.266942D+02  0.499673D+01  0.346360D+01  0.993031D-01  0.136947D+00
      4  -0.358794D+02 -0.172677D+01 -0.902572D+01 -0.143546D+01  0.966203D+01
      5  -0.221356D+01 -0.396057D+00 -0.394837D+01  0.194429D+01  0.306530D+01
      6  -0.225390D+02 -0.434821D+01  0.166086D+02 -0.102559D+02 -0.140890D+01
                91            92            93            94            95 
      1   0.819577D+01 -0.174304D+02  0.420461D+00 -0.118655D+02  0.293049D+02
      2  -0.125625D+02  0.381975D+02 -0.709056D+01  0.218743D+02 -0.539899D+02
      3   0.436675D+01 -0.207671D+02  0.667010D+01 -0.100087D+02  0.246850D+02
      4  -0.785358D+00 -0.197206D+02  0.129360D+02 -0.121635D+02  0.339257D+02
      5   0.163082D+01  0.762620D+01 -0.487100D+01  0.334755D+01 -0.275442D+01
      6   0.161612D+02 -0.820319D+01 -0.144127D+02 -0.376455D+01  0.237049D+02
                96            97            98            99           100 
      1  -0.661815D+01 -0.262799D+00  0.335416D+01  0.366877D+01 -0.700751D+01
      2   0.119872D+02 -0.334798D+01 -0.292923D+01 -0.390311D+01  0.128527D+02
      3  -0.536909D+01  0.361078D+01 -0.424932D+00  0.234338D+00 -0.584520D+01
      4  -0.285606D+01  0.844508D+01 -0.261385D+01 -0.958873D+01  0.114190D+02
      5   0.660483D+00 -0.433850D+01 -0.191555D+01  0.371530D+01  0.311940D+01
      6  -0.504272D+01 -0.160979D+02 -0.103510D+02  0.156013D+01 -0.108608D+02
               101           102           103           104           105 
      1   0.444781D+01 -0.368089D+01 -0.947214D+01 -0.359083D+02  0.916383D+01
      2   0.592312D+01  0.346930D+01  0.498897D+01  0.494957D+02  0.264506D+00
      3  -0.103709D+02  0.211592D+00  0.448317D+01 -0.135874D+02 -0.942834D+01
      4  -0.212368D+01 -0.145732D+02  0.365197D+01 -0.186494D+02  0.342466D+01
      5  -0.110752D+02 -0.177789D+00 -0.113040D+01  0.445245D+01 -0.337904D+01
      6   0.493213D+01 -0.361264D+01  0.463006D-01 -0.230698D+02  0.873262D+01
               106           107           108           109           110 
      1  -0.287898D+01 -0.149873D+01 -0.932864D+01  0.161975D+02 -0.117180D+02
      2   0.156234D+01 -0.266887D+01  0.761698D+01 -0.121112D+02 -0.113990D+02
      3   0.131663D+01  0.416760D+01  0.171167D+01 -0.408632D+01  0.231170D+02
      4  -0.609102D+01  0.712783D+01  0.213803D+01 -0.320155D+02  0.182934D+02
      5  -0.172762D+01 -0.174367D+01  0.480011D+01  0.332078D+01  0.403818D+01
      6  -0.627685D+01  0.926793D+01 -0.178624D+01  0.619296D+01  0.734015D+01
               111           112           113           114           115 
      1  -0.276903D+01 -0.447473D+02  0.121621D+02  0.696620D+01 -0.292545D+02
      2  -0.171215D+00  0.731254D+01 -0.127854D+02 -0.102486D+01  0.448070D+01
      3   0.294024D+01  0.374348D+02  0.623350D+00 -0.594134D+01  0.247738D+02
      4   0.763836D+01  0.241274D+02 -0.168605D+02 -0.182002D+01  0.843105D+01
      5   0.493812D+01 -0.275373D+01 -0.257804D+01 -0.261286D+00  0.139010D+02
      6   0.186844D+01 -0.102045D+01  0.245663D+01  0.567234D+01 -0.255641D+01
               116           117           118           119           120 
      1  -0.319412D+01  0.614983D+01  0.651166D+02  0.153118D+02  0.119052D+02
      2   0.101073D+02  0.871803D+00 -0.373995D+02 -0.137908D+02 -0.170380D+02
      3  -0.691317D+01 -0.702164D+01 -0.277171D+02 -0.152093D+01  0.513284D+01
      4  -0.107676D+02 -0.106966D+02  0.257438D+02  0.115757D+02  0.557664D+01
      5  -0.656702D+01 -0.492578D+01  0.359637D+02  0.648070D+01  0.168003D+02
      6   0.430374D+01  0.178372D+01  0.644383D+01  0.672831D+01  0.537363D+01
               121           122           123           124           125 
      1   0.405528D+02  0.683766D+01 -0.105498D+02  0.245842D+02 -0.915608D+01
      2  -0.843606D+01  0.605806D+01  0.600780D+01 -0.563239D+01  0.737166D+01
      3  -0.321167D+02 -0.128957D+02  0.454198D+01 -0.189518D+02  0.178443D+01
      4   0.506481D+01  0.121430D+02  0.527306D+01 -0.156938D+02  0.281869D+01
      5  -0.701156D+01  0.618810D+01 -0.236247D+00  0.532565D+01  0.205824D+01
      6   0.760723D+01  0.484185D+00 -0.462488D+00 -0.246021D+01 -0.201071D+00
               126           127           128           129           130 
      1  -0.350374D+01 -0.325497D+01 -0.985408D+01 -0.245262D+02  0.230127D+01
      2  -0.324653D+01 -0.570364D+01  0.998677D+01 -0.111553D+02  0.439537D+01
      3   0.675027D+01  0.895861D+01 -0.132690D+00  0.356816D+02 -0.669664D+01
      4   0.519746D+01 -0.190181D+02 -0.145818D+01 -0.479922D+00  0.406512D+01
      5   0.632260D+01  0.209928D+01 -0.829432D+00  0.203272D+02  0.123989D+01
      6  -0.496453D+01  0.182942D+01  0.127673D+01 -0.716173D+01 -0.123990D+00
               131           132           133           134           135 
      1  -0.185098D+01 -0.265642D+01  0.698244D+01  0.147922D+02 -0.628875D+01
      2   0.773688D+01 -0.166203D+01 -0.243232D+02 -0.838010D+01 -0.280823D+02
      3  -0.588590D+01  0.431844D+01  0.173407D+02 -0.641205D+01  0.343710D+02
      4  -0.256493D+01 -0.174266D+01  0.976907D+01  0.274826D+01 -0.149129D+01
      5  -0.734797D+00 -0.823209D+01  0.260258D+02 -0.506203D+00  0.325113D+02
      6  -0.430976D+01 -0.833415D+01  0.361320D+01 -0.390152D+01 -0.289113D+01
               136           137           138           139           140 
      1  -0.282373D+01  0.564332D+01  0.734530D+01  0.591361D+01  0.765193D+01
      2   0.553974D+01  0.137466D+01 -0.779114D+01 -0.159073D+01 -0.161363D+02
      3  -0.271601D+01 -0.701797D+01  0.445837D+00 -0.432289D+01  0.848436D+01
      4   0.168555D+01  0.986121D+01  0.359450D+01  0.687612D+01 -0.260047D+01
      5   0.576635D+01  0.269649D+01  0.252155D+01 -0.208444D+00  0.119982D+01
      6   0.129515D+01 -0.774310D+00 -0.109663D+02  0.434235D+01 -0.403657D+01
               141           142           143           144           145 
      1   0.253024D+02 -0.104558D+01  0.212564D+02 -0.211613D+02 -0.171207D+02
      2   0.687915D+01 -0.499191D+01 -0.111314D+02 -0.134975D+02 -0.581224D-01
      3  -0.321816D+02  0.603749D+01 -0.101250D+02  0.346588D+02  0.171788D+02
      4   0.904486D+00  0.551066D+01  0.696918D+01 -0.589655D+01  0.211237D+02
      5  -0.148231D+02  0.715547D-01 -0.592490D+01  0.187960D+02  0.690085D+00
      6   0.159402D+02 -0.276871D+01  0.149079D+02 -0.175282D+02 -0.391012D+00
               146           147           148           149           150 
      1   0.380465D+01  0.101408D+02  0.104362D+02 -0.171933D+02  0.693212D+01
      2   0.159314D+02 -0.542740D+01  0.176338D+02 -0.127830D+02 -0.361776D+01
      3  -0.197360D+02 -0.471344D+01 -0.280700D+02  0.299763D+02 -0.331436D+01
      4  -0.282595D+02  0.614206D+01 -0.510717D+02  0.455414D+02 -0.125168D+01
      5   0.100339D+02  0.433235D+01  0.110777D+02 -0.266383D+01  0.418821D+01
      6  -0.611919D+01 -0.767436D+01 -0.548518D+00  0.961881D+00 -0.636029D+01
               151           152           153           154           155 
      1   0.140244D+02  0.180279D+02  0.143134D+02 -0.527492D+01  0.203913D+02
      2  -0.127770D+02 -0.162646D+01 -0.781848D+01  0.468630D+01 -0.188431D+02
      3  -0.124741D+01 -0.164015D+02 -0.649493D+01  0.588625D+00 -0.154827D+01
      4   0.161791D+02 -0.116835D+02  0.693166D+01  0.268341D+02 -0.231768D+01
      5   0.244101D+01  0.881752D+01  0.411428D+01  0.288727D+02 -0.312546D+02
      6  -0.365884D+01 -0.806646D+01 -0.870886D+01 -0.101643D+02  0.289925D+01
               156           157           158           159           160 
      1   0.190338D+02  0.270060D+02  0.501537D+01 -0.380049D+02  0.175902D+02
      2  -0.963011D+01 -0.223209D+02  0.260347D+01  0.171142D+02 -0.812858D+01
      3  -0.940374D+01 -0.468507D+01 -0.761885D+01  0.208907D+02 -0.946162D+01
      4  -0.309369D+02 -0.326743D+01 -0.246221D+01  0.175735D+02 -0.380425D+02
      5  -0.199384D+02 -0.432042D+02  0.149633D+02 -0.135887D+00 -0.201168D+02
      6   0.887636D+01  0.598463D+01 -0.118331D+01 -0.518802D+01  0.102705D+02
               161           162           163           164           165 
      1  -0.338973D+02 -0.124392D+02 -0.536543D+02 -0.296624D+02 -0.438542D+01
      2   0.134330D+02  0.986858D+01  0.230574D+02  0.140262D+02  0.422930D+01
      3   0.204642D+02  0.257063D+01  0.305969D+02  0.156362D+02  0.156121D+00
      4   0.169764D+02 -0.124338D+01 -0.332564D+02 -0.207884D+02  0.293126D+02
      5  -0.149836D+01  0.190595D+02 -0.383556D+01  0.287900D+02 -0.586188D-02
      6  -0.412303D+01 -0.102296D+01  0.769100D+01  0.451595D+00  0.280259D+01
               166           167           168           169           170 
      1  -0.455562D+02 -0.300655D+02  0.404698D+02 -0.315448D+01  0.401658D+02
      2   0.206454D+02  0.148197D+02 -0.203260D+02  0.236291D+01 -0.215570D+02
      3   0.249108D+02  0.152459D+02 -0.201438D+02  0.791570D+00 -0.186088D+02
      4  -0.361005D+02  0.410691D+01 -0.100162D+02  0.448011D+02 -0.805061D+01
      5   0.438708D+02 -0.101946D+02  0.202046D+02 -0.111678D+02  0.188423D+02
      6  -0.290400D+01  0.453094D+01 -0.294647D+01  0.398050D+01 -0.304157D+01
               171           172           173           174           175 
      1  -0.688584D+01 -0.165576D+02  0.266369D+01  0.286690D+01 -0.369407D+01
      2   0.309022D+01  0.115543D+02  0.196445D+01 -0.134434D+01 -0.130250D+01
      3   0.379562D+01  0.500328D+01 -0.462814D+01 -0.152256D+01  0.499657D+01
      4   0.180381D+02 -0.243770D+01 -0.502664D+01 -0.184965D+02 -0.195958D+02
      5  -0.814482D+01 -0.969574D+01 -0.190022D+02 -0.201646D+02 -0.257271D+02
      6   0.474177D+01 -0.571725D+01 -0.656807D+01 -0.656459D+01 -0.819961D+01
               176           177           178           179           180 
      1  -0.355057D+01 -0.192477D+02  0.101929D+02 -0.155240D+02 -0.882097D+01
      2  -0.431677D+01  0.164637D+02  0.305769D+01  0.181963D+02  0.795670D+01
      3   0.786735D+01  0.278401D+01 -0.132506D+02 -0.267228D+01  0.864271D+00
      4  -0.238327D+02 -0.830278D+00 -0.199850D+02  0.196175D+01 -0.263191D+02
      5  -0.109875D+01 -0.178504D+02 -0.297021D+02 -0.276766D+02 -0.304025D+02
      6  -0.270290D+01 -0.655363D+01 -0.137836D+02 -0.930245D+01 -0.136069D+02
               181           182           183           184           185 
      1  -0.593287D+02  0.925224D+00 -0.116295D+02  0.189744D+01  0.120219D+02
      2   0.418085D+02 -0.869694D+00  0.256063D+02 -0.939219D+00 -0.171985D+02
      3   0.175202D+02 -0.555302D-01 -0.139768D+02 -0.958221D+00  0.517664D+01
      4   0.989521D+00 -0.141187D+02  0.632641D+00 -0.110317D+02 -0.194843D+01
      5  -0.353788D+02  0.294572D+00 -0.342974D+02 -0.697215D+00 -0.846193D+01
      6   0.759310D-02 -0.382423D+01 -0.847782D+00 -0.114936D+02  0.290098D+00
               186           187           188           189           190 
      1  -0.222310D-01 -0.152379D+02  0.118234D+00  0.157375D+02  0.306243D+02
      2  -0.438606D+00  0.292281D+02  0.339165D+00  0.207825D+02 -0.127701D+02
      3   0.460837D+00 -0.139902D+02 -0.457399D+00 -0.365201D+02 -0.178542D+02
      4  -0.573290D+01  0.141185D+01 -0.124179D+02 -0.553776D+00 -0.233715D+02
      5  -0.756413D+00 -0.224914D+02  0.303959D+00 -0.314130D+02 -0.129238D+02
      6  -0.175693D+02 -0.537343D+00 -0.689944D+01 -0.327172D-01  0.992448D+01
               191           192           193           194           195 
      1  -0.148613D+01 -0.144922D+01 -0.225490D+01 -0.476807D+02 -0.173475D+02
      2  -0.477010D+01  0.348760D+01 -0.873104D+01  0.763804D+02  0.146887D+02
      3   0.625622D+01 -0.203838D+01  0.109859D+02 -0.286997D+02  0.265876D+01
      4   0.261320D+02  0.102832D+02  0.255053D+02 -0.275957D+02 -0.989042D+01
      5   0.993662D+01  0.198712D+02  0.333156D+01 -0.109855D+02 -0.668087D+01
      6  -0.407514D+01 -0.731149D+01 -0.761796D+01  0.325452D+02  0.311440D+02
               196           197           198           199           200 
      1  -0.500220D+00 -0.180865D+02 -0.251422D+02  0.335210D+02 -0.289997D-01
      2   0.590652D+01  0.752880D+01 -0.351459D+01 -0.168437D+02  0.636302D+01
      3  -0.540630D+01  0.105577D+02  0.286568D+02 -0.166773D+02 -0.633402D+01
      4   0.713771D+01 -0.599532D+01 -0.123653D+02  0.216573D+02  0.239289D+02
      5   0.203979D+02 -0.117935D+02 -0.181292D+02 -0.156917D+02 -0.921132D+01
      6  -0.115861D+02  0.330506D+02  0.351198D+02 -0.938965D+01 -0.494632D+01
               201           202           203           204           205 
      1  -0.143554D+01 -0.135050D+01 -0.404062D+02  0.179401D+02  0.508360D+00
      2   0.490220D+01  0.101907D+02  0.626564D+02 -0.145530D+02  0.700620D+01
      3  -0.346666D+01 -0.884024D+01 -0.222502D+02 -0.338708D+01 -0.751456D+01
      4  -0.101752D+02  0.249850D+02  0.281369D+02 -0.119465D+02 -0.711095D+01
      5   0.234300D+02 -0.362543D+01 -0.131306D+02  0.771481D+01  0.237920D+02
      6   0.796995D+01 -0.935995D+01 -0.336097D+02  0.310384D+02  0.126530D+02
               206           207           208           209           210 
      1   0.198213D+02 -0.266889D+02 -0.708238D+01  0.639060D+01  0.184424D+02
      2  -0.863681D+01 -0.956973D+01 -0.737949D+01  0.961753D+00  0.101441D+02
      3  -0.111845D+02  0.362587D+02  0.144619D+02 -0.735236D+01 -0.285865D+02
      4  -0.766363D+01  0.134551D+02 -0.365972D+01  0.152220D+01  0.299836D+01
      5   0.124621D+02 -0.237401D+02 -0.107780D+02  0.291202D+01  0.104051D+02
      6   0.312848D+02 -0.367451D+02  0.807742D+01 -0.745449D+01 -0.136086D+02
               211           212           213           214           215 
      1   0.275024D+01 -0.348840D+01 -0.119580D+01  0.938862D+01 -0.264698D+01
      2  -0.882206D+00  0.469078D+00  0.241692D+01  0.458930D+01 -0.568303D+00
      3  -0.186804D+01  0.301932D+01 -0.122113D+01 -0.139779D+02  0.321528D+01
      4   0.126338D+01 -0.195686D+01 -0.121269D+01  0.158255D+01 -0.191293D+01
      5   0.261632D+01 -0.242208D+01 -0.337366D+01  0.843938D+01 -0.243077D+01
      6  -0.394191D+01  0.447217D+01  0.516909D+01 -0.508639D+01  0.524476D+01
               216           217           218           219           220 
      1  -0.170800D+02 -0.403685D-01 -0.162923D+01  0.433481D+01  0.106952D+01
      2  -0.113306D+02  0.318607D-01 -0.793691D+00  0.320489D+01  0.321430D+01
      3   0.284106D+02  0.850783D-02  0.242292D+01 -0.753970D+01 -0.428382D+01
      4  -0.238886D+01 -0.219624D+01  0.181211D+01 -0.167129D+01  0.515755D+01
      5  -0.109162D+02  0.101045D+01 -0.260152D+01  0.145776D+01 -0.823808D+01
      6   0.810535D+01 -0.273553D+01  0.109007D+01  0.452444D+00  0.578163D+01
               221           222           223           224           225 
      1  -0.152779D+02  0.185718D+02  0.483453D+00  0.117917D+02 -0.205995D+02
      2   0.814766D+00  0.593510D+01 -0.877006D+00  0.226488D+01 -0.693250D+01
      3   0.144631D+02 -0.245069D+02  0.393553D+00 -0.140566D+02  0.275320D+02
      4  -0.102677D+02  0.103192D+02 -0.273968D+01  0.450048D+01 -0.601297D+01
      5   0.117928D+02 -0.166341D+02  0.373485D+01 -0.731552D+01  0.111839D+02
      6  -0.218671D+02  0.242907D+02 -0.230423D+01  0.156309D+02 -0.203674D+02
               226           227           228           229           230 
      1  -0.222104D+01  0.358440D+00 -0.692149D+01 -0.103628D+02 -0.531612D+01
      2  -0.133655D+01 -0.624012D+00  0.144534D+01  0.739015D+01  0.560225D+01
      3   0.355759D+01  0.265571D+00  0.547615D+01  0.297268D+01 -0.286128D+00
      4  -0.412619D+01 -0.133033D+01 -0.291409D+00 -0.640831D+00  0.469830D+01
      5  -0.151576D+01  0.181690D+01 -0.117356D+01  0.121902D+01 -0.300519D+01
      6  -0.110808D+00  0.115559D+01 -0.307520D+01 -0.350167D+00 -0.264714D+01
               231           232           233           234           235 
      1   0.932289D+00 -0.197964D+02  0.121863D+01 -0.144206D+02  0.148047D+01
      2  -0.464756D+01  0.100890D+02 -0.932769D+00 -0.993708D+01  0.504230D+01
      3   0.371527D+01  0.970737D+01 -0.285856D+00  0.243577D+02 -0.652278D+01
      4  -0.389201D+01 -0.984351D+01 -0.658426D+01  0.317998D+01  0.861063D+01
      5  -0.311995D+01  0.994666D+01  0.523653D+01 -0.271619D+02 -0.366579D+00
      6   0.167579D+01  0.147060D+01  0.658036D+01 -0.149196D+02  0.113687D+00
               236           237           238           239           240 
      1   0.427970D+01  0.659576D+00  0.102898D+02 -0.243645D+02  0.100203D+01
      2   0.655318D+00 -0.779414D+00  0.413245D+01  0.516700D+02 -0.447120D+01
      3  -0.493502D+01  0.119839D+00 -0.144222D+02 -0.273055D+02  0.346916D+01
      4   0.121838D+02 -0.544569D+00  0.231643D+02  0.569506D+02 -0.849638D+01
      5  -0.800151D+00 -0.981966D-01 -0.600786D+01 -0.490555D+01  0.548601D+01
      6  -0.119060D+01 -0.616349D-01 -0.431021D+01 -0.121162D+02  0.752990D+01
               241           242           243           244           245 
      1   0.132866D+01  0.174027D+00 -0.520773D+01  0.545640D+02  0.178145D+02
      2  -0.589747D+00  0.177354D+01  0.352769D+01 -0.320036D+02 -0.888909D+01
      3  -0.738913D+00 -0.194756D+01  0.168004D+01 -0.225604D+02 -0.892538D+01
      4   0.363744D+00  0.725256D+00  0.532661D+01  0.298510D+02  0.177996D+02
      5   0.149957D+01  0.575924D+01 -0.226616D+01 -0.410497D+02 -0.123126D+02
      6   0.134942D+01  0.724009D+01 -0.218121D+01 -0.944096D+01 -0.480507D+01
               246           247           248           249           250 
      1  -0.270752D+02  0.185566D+02  0.105381D+02 -0.583591D+01 -0.452591D+02
      2   0.183925D+02 -0.788524D+01 -0.444433D+01  0.271461D+01  0.320790D+02
      3   0.868269D+01 -0.106714D+02 -0.609377D+01  0.312129D+01  0.131801D+02
      4  -0.144186D+02  0.238285D+02  0.152462D+02 -0.152665D+02 -0.261084D+02
      5   0.321427D+02 -0.141601D+02 -0.146676D+02  0.147352D+02  0.557245D+02
      6   0.741130D+01 -0.740096D+01 -0.665583D+01  0.886717D+01  0.139656D+02
               251           252           253           254           255 
      1  -0.103608D+02  0.296548D+02  0.440643D+02  0.173150D+02  0.169659D+02
      2   0.666409D+01 -0.269927D+02 -0.200582D+02 -0.658495D+01 -0.769783D+01
      3   0.369673D+01 -0.266209D+01 -0.240061D+02 -0.107301D+02 -0.926812D+01
      4  -0.206149D+02  0.260448D+02  0.265800D+02  0.173579D+02  0.904903D+01
      5   0.228642D+02 -0.520563D+02  0.194737D+02  0.643264D+01  0.185030D+02
      6   0.101571D+02 -0.143165D+02  0.457704D+01  0.203130D+01  0.454002D+01
               256           257           258           259           260 
      1   0.229639D+02  0.118434D+02  0.444252D+01  0.424679D+02  0.122722D+02
      2  -0.773719D+01 -0.100477D+01  0.781026D+00 -0.189436D+02 -0.239891D+01
      3  -0.152267D+02 -0.108386D+02 -0.522355D+01 -0.235243D+02 -0.987332D+01
      4   0.242395D+02  0.186635D+02  0.123333D+02  0.245895D+02  0.232574D+02
      5   0.743459D+01  0.110686D+02  0.115071D+02  0.328749D+02  0.179424D+02
      6   0.372107D+01  0.487334D+01  0.591008D+01  0.964180D+01  0.626475D+01
               261           262           263           264           265 
      1   0.236032D+02 -0.163051D+02 -0.113442D+02 -0.941157D+01 -0.160719D+02
      2  -0.118858D+02  0.889002D+01  0.482044D+01  0.283461D+01  0.845421D+01
      3  -0.117174D+02  0.741511D+01  0.652372D+01  0.657696D+01  0.761767D+01
      4   0.211634D+02 -0.748088D+01 -0.283821D+01 -0.265273D+00  0.442812D+01
      5   0.308886D+02 -0.505096D+01 -0.551895D+00 -0.944599D+01  0.257323D+01
      6   0.888470D+01  0.402325D+01  0.114233D+01  0.296450D+01  0.144270D+01
               266           267           268           269           270 
      1  -0.375445D+01 -0.209973D+01 -0.160293D+02 -0.664389D+01 -0.143799D+02
      2   0.226747D+01  0.105429D+01  0.730168D+01  0.167160D+01 -0.242253D+01
      3   0.148698D+01  0.104544D+01  0.872758D+01  0.497228D+01  0.168024D+02
      4  -0.604924D+01 -0.685181D+01  0.120294D+01 -0.133027D+02 -0.109278D+02
      5  -0.678416D+01 -0.955898D+01  0.180827D+01 -0.120126D+02 -0.287665D+02
      6   0.437087D+01  0.660875D+01  0.577691D+00  0.762681D+01  0.104006D+02
               271           272           273           274           275 
      1   0.138182D+03 -0.401995D+02 -0.152787D+02 -0.392690D+02  0.249856D+02
      2  -0.669731D+02  0.170310D+02  0.853426D+01  0.147439D+02 -0.789808D+01
      3  -0.712087D+02  0.231685D+02  0.674440D+01  0.245251D+02 -0.170875D+02
      4  -0.554086D+02  0.320207D+02  0.581841D+01  0.370673D+02 -0.228528D+02
      5  -0.223880D+02  0.612305D+01  0.133816D+02  0.748266D+01 -0.455952D+01
      6   0.710880D+01 -0.398621D+01 -0.296792D+01 -0.432677D+01  0.274099D+01
               276           277           278           279           280 
      1   0.424515D+01 -0.455673D+01  0.955814D+00  0.106732D+02  0.632547D+02
      2  -0.217570D+01  0.328910D+01 -0.139262D+01 -0.635032D+01 -0.409211D+02
      3  -0.206945D+01  0.126764D+01  0.436809D+00 -0.432291D+01 -0.223337D+02
      4  -0.426945D+01  0.251870D+01 -0.152258D+01 -0.807065D+01 -0.171083D+02
      5  -0.687926D+01  0.162142D+02 -0.819900D+01 -0.440382D+01  0.491206D+02
      6   0.302438D+01 -0.350072D+01  0.285732D+01  0.181926D+01 -0.888309D+01
               281           282           283           284           285 
      1  -0.719790D+01  0.261342D+02  0.627342D+01  0.429407D+01  0.897476D-01
      2   0.410104D+01 -0.198079D+02 -0.652827D+01 -0.678415D+00 -0.269248D+01
      3   0.309685D+01 -0.632630D+01  0.254844D+00 -0.361565D+01  0.260273D+01
      4   0.104593D+02 -0.102125D+02  0.117697D+02 -0.724884D+01  0.721981D+01
      5  -0.954800D+01  0.380108D+02  0.388251D+00  0.835043D+01  0.306648D+01
      6   0.435844D+01 -0.779792D+01  0.404690D+01 -0.207076D+01  0.392749D+01
               286           287           288           289           290 
      1   0.439548D+02 -0.964293D+01  0.229339D+02 -0.231495D+01 -0.882507D+01
      2  -0.338632D+02  0.621946D+01 -0.266722D+02  0.281807D+01  0.624249D+01
      3  -0.100916D+02  0.342347D+01  0.373824D+01 -0.503123D+00  0.258258D+01
      4  -0.203916D+02  0.108878D+02 -0.121887D+02 -0.565549D+01  0.621565D+00
      5   0.549993D+02 -0.122398D+02  0.517866D+02  0.276715D+01  0.232412D+00
      6  -0.127513D+02  0.731467D+01 -0.113853D+02  0.369593D+00 -0.284639D+01
               291           292           293           294           295 
      1   0.297628D+01 -0.154578D+02 -0.147396D+02  0.207893D+01  0.503992D+00
      2  -0.190202D+01  0.684481D+00  0.344143D+02 -0.288933D+01 -0.201909D+01
      3  -0.107426D+01  0.147733D+02 -0.196747D+02  0.810406D+00  0.151510D+01
      4   0.511471D+00  0.205397D+02 -0.528325D+02  0.699387D+01 -0.207992D+01
      5   0.309473D+01 -0.437477D+01  0.941973D+01 -0.813805D+01  0.994903D+01
      6   0.264773D+00  0.368196D+01 -0.119441D+02  0.697944D+01 -0.178741D+01
               296           297           298           299           300 
      1  -0.103495D+00  0.274287D+01 -0.459215D+01 -0.219785D+02 -0.441637D+01
      2   0.150173D+01 -0.759891D+00  0.167920D+02  0.456505D+02  0.667416D+01
      3  -0.139824D+01 -0.198298D+01 -0.121998D+02 -0.236720D+02 -0.225779D+01
      4  -0.134509D+01 -0.491257D+01  0.216488D+02  0.324292D+02  0.757564D+01
      5  -0.522536D+01  0.258832D+01  0.464520D+01  0.530891D+01  0.474418D+01
      6   0.481607D+01 -0.213649D+01  0.924232D+01  0.152560D+02  0.657374D+01
               301           302           303           304           305 
      1  -0.106430D+02 -0.442834D+02 -0.796838D+01 -0.135479D+01 -0.410993D+01
      2   0.230942D+02  0.834154D+02  0.127291D+02  0.202982D+01  0.386218D+01
      3  -0.124512D+02 -0.391321D+02 -0.476071D+01 -0.675031D+00  0.247751D+00
      4   0.201470D+02  0.368117D+02  0.614719D+01  0.395966D+01  0.438409D+01
      5   0.331979D+01  0.535771D+01  0.241751D+01  0.411544D+01  0.349906D+01
      6   0.749261D+01  0.246154D+02  0.123784D+02  0.369735D+01  0.157435D+02
               306           307           308           309           310 
      1  -0.681613D+01 -0.338938D+00  0.850603D+01  0.528771D+01  0.282887D+01
      2   0.905708D+01  0.251876D+01 -0.953117D+01 -0.347692D+01 -0.329753D+01
      3  -0.224094D+01 -0.217982D+01  0.102514D+01 -0.181079D+01  0.468663D+00
      4   0.500789D+01 -0.147955D+02  0.109762D+02  0.904745D+01  0.665556D+01
      5   0.261229D+01 -0.766486D+01  0.469441D+01  0.563430D+01  0.167120D+01
      6   0.642039D+01  0.130057D+02 -0.110960D+02 -0.158022D+02 -0.459744D+01
               311           312           313           314           315 
      1  -0.800893D+01 -0.567025D+01  0.423436D+01 -0.115630D+02 -0.106355D+02
      2   0.121140D+02  0.786929D+01 -0.163992D+01  0.120126D+02  0.313136D+01
      3  -0.410510D+01 -0.219904D+01 -0.259445D+01 -0.449573D+00  0.750418D+01
      4  -0.456506D+01 -0.293251D+01  0.951733D+01 -0.473704D+01 -0.824737D+01
      5  -0.225447D+01 -0.192965D+01  0.607742D+01 -0.332144D+01 -0.580877D+01
      6   0.115164D+02  0.916660D+01 -0.119517D+02  0.161856D+02  0.211784D+02
               316           317           318           319           320 
      1   0.272584D+00 -0.786725D+01  0.523712D+01 -0.261224D+01 -0.717493D+01
      2   0.178635D+01  0.857877D+01 -0.285316D+01  0.292922D+01  0.108003D+02
      3  -0.205893D+01 -0.711517D+00 -0.238396D+01 -0.316982D+00 -0.362537D+01
      4   0.151624D+02  0.107613D+02 -0.958055D+01  0.598954D+01  0.430485D+01
      5  -0.833771D+01 -0.503388D+01  0.646260D+01 -0.159767D+01 -0.229564D+01
      6  -0.132140D+02 -0.110205D+02  0.163433D+02 -0.430253D+01 -0.106761D+02
               321           322           323           324           325 
      1   0.523309D+01  0.435189D+01  0.108021D+02 -0.103237D+02 -0.479646D+01
      2  -0.739554D+01 -0.160549D+01 -0.109397D+02  0.237532D+01  0.157270D+02
      3   0.216245D+01 -0.274639D+01  0.137622D+00  0.794834D+01 -0.109305D+02
      4  -0.285106D+01 -0.942278D+01 -0.509232D+01  0.856915D+01 -0.201053D+02
      5   0.188635D+01  0.648954D+01  0.370461D+01 -0.668657D+01  0.469337D+01
      6   0.855478D+01  0.120082D+02  0.157553D+02 -0.211272D+02 -0.935263D+01
               326           327           328           329           330 
      1   0.227278D+02 -0.488754D+01  0.104467D+02 -0.455005D+02  0.870516D+01
      2  -0.451568D+02  0.719343D+01 -0.216266D+02  0.834255D+02 -0.136593D+02
      3   0.224290D+02 -0.230589D+01  0.111799D+02 -0.379250D+02  0.495410D+01
      4   0.309010D+02 -0.781994D+01  0.187913D+02 -0.343865D+02  0.634907D+01
      5  -0.551201D+01  0.479969D+01 -0.348658D+01  0.542348D+01 -0.239429D+01
      6   0.160319D+02 -0.696733D+01  0.765619D+01 -0.262001D+02  0.130079D+02
               331           332           333           334           335 
      1  -0.167295D+01  0.525269D+01 -0.725639D+01 -0.659027D+01 -0.569391D+01
      2   0.243872D+01 -0.526706D+01  0.924465D+01 -0.776231D+01 -0.653846D+00
      3  -0.765767D+00  0.143740D-01 -0.198827D+01  0.143526D+02  0.634775D+01
      4  -0.407288D+01  0.490080D+01 -0.486183D+01  0.416775D+01  0.189672D+01
      5   0.406547D+01 -0.344304D+01  0.262193D+01 -0.125719D+02 -0.313441D+01
      6  -0.369001D+01  0.162227D+02 -0.721441D+01 -0.790812D+01 -0.685277D+01
               336           337           338           339           340 
      1   0.172401D+02 -0.217380D+01 -0.276061D+01  0.382502D+00  0.872847D+01
      2   0.104514D+02  0.105442D+01  0.130205D+00 -0.273465D+01  0.511197D+01
      3  -0.276915D+02  0.111938D+01  0.263041D+01  0.235214D+01 -0.138404D+02
      4  -0.317336D+01  0.175800D+01  0.195816D+01 -0.135153D+01 -0.191911D+01
      5   0.118740D+02 -0.227851D+01 -0.262679D+01  0.280668D+01  0.915019D+01
      6   0.123583D+02 -0.385710D+01 -0.388077D+01  0.456739D+01  0.476734D+01
               341           342           343           344           345 
      1   0.182408D+01 -0.150655D+02 -0.715337D+00  0.173389D+01  0.451962D+01
      2   0.539835D+00 -0.106790D+02  0.241724D-01  0.968195D+00  0.324221D+01
      3  -0.236392D+01  0.257445D+02  0.691165D+00 -0.270209D+01 -0.776183D+01
      4  -0.188981D+01  0.249632D+01  0.244212D+01  0.181491D+01  0.199330D+01
      5   0.244764D+01 -0.115830D+02  0.128536D+01  0.305593D+01  0.195376D+01
      6   0.469137D+01 -0.654430D+01  0.335691D+01  0.102952D+01 -0.545440D+00
               346           347           348           349           350 
      1  -0.543826D+00 -0.159155D+02 -0.193827D+02  0.582554D+00 -0.121176D+02
      2  -0.328134D+01  0.108232D+01 -0.583712D+01 -0.647720D+00 -0.174979D+01
      3   0.382516D+01  0.148332D+02  0.252198D+02  0.651660D-01  0.138674D+02
      4   0.450236D+01  0.968989D+01  0.959913D+01  0.300275D+01  0.395167D+01
      5   0.780623D+01  0.108035D+02  0.157700D+02  0.346944D+01  0.691224D+01
      6   0.509063D+01  0.219548D+02  0.243908D+02  0.232613D+01  0.158728D+02
               351           352           353           354           355 
      1  -0.205840D+02  0.263075D+02 -0.114551D+02 -0.424774D+00 -0.170351D+02
      2  -0.604915D+01 -0.604556D+00 -0.858448D+01  0.152337D+01 -0.123854D+02
      3   0.266331D+02 -0.257029D+02  0.200396D+02 -0.109859D+01  0.294205D+02
      4   0.564572D+01 -0.347114D+02  0.342060D+02 -0.326021D+01  0.487786D+02
      5   0.947920D+01  0.878789D+00 -0.436847D+01  0.503576D+01  0.404701D+00
      6   0.203410D+02 -0.213265D+01  0.764203D+00 -0.134249D+01 -0.427950D+00
               356           357           358           359           360 
      1   0.283930D+01  0.225714D+01  0.836250D+01 -0.284226D+01 -0.284906D+01
      2   0.334154D+02 -0.301668D+01  0.168537D+01 -0.869219D+01  0.372349D+01
      3  -0.362547D+02  0.759539D+00 -0.100479D+02  0.115344D+02 -0.874427D+00
      4  -0.633344D+02  0.150397D+01 -0.167588D+02  0.186439D+02 -0.845524D+01
      5   0.443351D+01 -0.752851D+01  0.558858D+01 -0.907034D+01  0.492386D+01
      6  -0.105434D+01  0.655257D+01 -0.353048D+01  0.836600D+01 -0.284373D+01
               361           362           363           364           365 
      1  -0.138098D+02 -0.738019D+01 -0.811661D+01 -0.647676D+01 -0.687678D+01
      2   0.873974D+01  0.390375D+01  0.424554D+01  0.100886D+01  0.943553D+01
      3   0.507010D+01  0.347643D+01  0.387107D+01  0.546791D+01 -0.255875D+01
      4   0.228747D+01  0.195511D+01 -0.129198D+01  0.965595D+01 -0.118318D+02
      5  -0.582077D-01 -0.270461D+01 -0.210374D+01  0.452984D+00 -0.485066D+01
      6   0.269224D+01  0.433234D+01  0.543808D+01  0.109569D+01  0.806942D+01
               366           367           368           369           370 
      1  -0.725364D+01 -0.145470D+02 -0.138347D+02 -0.161053D+02  0.687648D+02
      2   0.543365D+01  0.927757D+01  0.739304D+01  0.250419D+01 -0.401270D+02
      3   0.181999D+01  0.526944D+01  0.644165D+01  0.136011D+02 -0.286379D+02
      4  -0.513558D+01  0.157774D+01 -0.654162D+01 -0.862620D+01 -0.346046D+02
      5  -0.497164D+01  0.480931D+01 -0.968286D+01 -0.167889D+02 -0.496282D+02
      6   0.861043D+01  0.515738D+00  0.130671D+02  0.179570D+02  0.112957D+02
               371           372           373           374           375 
      1  -0.193711D+02 -0.294819D+02 -0.273541D+02  0.121922D+02  0.135374D+02
      2   0.104724D+02  0.210780D+02  0.146916D+02 -0.484639D+01 -0.897359D+01
      3   0.889875D+01  0.840387D+01  0.126626D+02 -0.734581D+01 -0.456385D+01
      4   0.202250D+02  0.203829D+02  0.281780D+02 -0.234021D+02 -0.194417D+02
      5   0.192632D+02  0.365767D+02  0.266521D+02 -0.187884D+02 -0.197915D+02
      6  -0.634306D+01 -0.790082D+01 -0.101804D+02  0.874948D+01  0.100306D+02
               376           377           378           379           380 
      1  -0.275672D+02  0.931156D+01  0.202634D+02 -0.168509D+02  0.541696D+01
      2   0.218457D+02 -0.685091D+01 -0.197623D+02  0.751218D+01  0.320200D+00
      3   0.572151D+01 -0.246065D+01 -0.501069D+00  0.933874D+01 -0.573716D+01
      4   0.199601D+02 -0.136529D+02 -0.174588D+02  0.520410D+01 -0.420637D+01
      5   0.413173D+02 -0.159846D+02 -0.392064D+02 -0.401845D+01  0.280589D+01
      6  -0.101039D+02  0.812046D+01  0.100454D+02 -0.248420D+01  0.864781D+00
               381           382           383           384           385 
      1  -0.802522D+01  0.157913D+02 -0.843734D+01  0.100251D+02 -0.123168D+02
      2   0.915976D+00 -0.791351D+01  0.179398D+01  0.453571D+00  0.595851D+01
      3   0.710924D+01 -0.787779D+01  0.664336D+01 -0.104787D+02  0.635825D+01
      4   0.382117D+01 -0.153416D+01  0.141541D+02 -0.992970D+01  0.365306D+01
      5  -0.171513D+01  0.186641D+01 -0.874706D+01  0.161848D+02  0.704042D+01
      6  -0.873776D+00  0.947957D+00 -0.657083D+01  0.547082D+01 -0.208775D+01
               386           387           388           389           390 
      1   0.795650D+01 -0.786886D+01  0.118825D+03  0.368724D+02 -0.122168D+02
      2   0.251528D+00 -0.769676D+01 -0.566050D+02 -0.157328D+02  0.613831D+01
      3  -0.820803D+01  0.155656D+02 -0.622204D+02 -0.211396D+02  0.607846D+01
      4  -0.888021D+01  0.749058D+01  0.453337D+02  0.272386D+02 -0.748797D+01
      5   0.748148D+01 -0.238212D+02 -0.138682D+02 -0.675369D+01  0.135045D+02
      6   0.593318D+01 -0.443165D+01 -0.452276D+01 -0.146471D+01  0.163719D+01
               391           392           393           394           395 
      1   0.610268D+02  0.309957D+02 -0.930283D+01 -0.307921D+02 -0.128677D+02
      2  -0.258364D+02 -0.105850D+02  0.418108D+01  0.151935D+02  0.612613D+01
      3  -0.351904D+02 -0.204107D+02  0.512175D+01  0.155986D+02  0.674153D+01
      4   0.431478D+02  0.307453D+02 -0.387216D+01 -0.161430D+02 -0.744886D+01
      5  -0.110006D+02 -0.341037D+01  0.675986D+01  0.218067D+02  0.623967D+01
      6  -0.284183D+01 -0.259574D+01  0.310987D+01  0.396478D+01  0.358370D+01
               396           397           398           399           400 
      1   0.153675D+02  0.485674D+02 -0.116529D+02  0.169292D+02 -0.338306D+02
      2  -0.848011D+01 -0.252978D+02  0.561835D+01 -0.100919D+02  0.164186D+02
      3  -0.688736D+01 -0.232696D+02  0.603452D+01 -0.683725D+01  0.174120D+02
      4   0.640261D+01 -0.159720D+02  0.147241D+02 -0.999588D+01  0.304122D+02
      5  -0.101358D+02  0.221264D+02 -0.102819D+02  0.151021D+02 -0.235032D+02
      6  -0.236954D+01 -0.460357D+01  0.251041D+01 -0.272303D+01  0.611330D+01
               401           402           403           404           405 
      1   0.196425D+02 -0.167349D+02  0.360805D+02 -0.138580D+02  0.174381D+02
      2  -0.779160D+01  0.875149D+01 -0.219805D+02  0.864526D+01 -0.139438D+02
      3  -0.118509D+02  0.798345D+01 -0.141000D+02  0.521272D+01 -0.349431D+01
      4  -0.286424D+02  0.158393D+02 -0.191191D+02  0.156018D+02 -0.158978D+02
      5   0.160308D+02 -0.223561D+02  0.296059D+02 -0.159498D+02  0.324729D+02
      6  -0.642350D+01  0.628194D+01 -0.576281D+01  0.572844D+01 -0.612971D+01
               406           407           408           409           410 
      1  -0.298825D+01  0.445162D+01 -0.437118D+01  0.181393D+02 -0.560230D+01
      2   0.338729D+01 -0.290780D+01  0.294688D+01 -0.409979D+01  0.209094D+02
      3  -0.399038D+00 -0.154382D+01  0.142430D+01 -0.140395D+02 -0.153071D+02
      4   0.399212D+01  0.356840D+01 -0.985809D+00  0.193488D+02  0.366615D+02
      5  -0.483450D+01  0.387307D+00  0.195600D+01  0.515418D+01 -0.284294D+01
      6  -0.358415D+01 -0.135267D+01  0.857301D+00  0.270852D+01  0.454633D+00
               411           412           413           414           415 
      1   0.534676D+01 -0.228985D+02  0.413083D+01 -0.134960D+01  0.235987D+02
      2  -0.599472D+01  0.894813D+01 -0.953876D+01  0.303857D+01 -0.163079D+02
      3   0.647956D+00  0.139503D+02  0.540793D+01 -0.168898D+01 -0.729085D+01
      4  -0.335894D+01 -0.334462D+01 -0.137964D+02  0.849495D+01  0.166067D+02
      5   0.826907D+01  0.373885D+01  0.902617D+01 -0.423603D+01  0.268179D+02
      6   0.538172D+01  0.135695D+01  0.374531D+01 -0.142521D+01  0.880781D+01
               416           417           418           419           420 
      1   0.630915D+01  0.124219D+02  0.819774D+01  0.299074D+01  0.284849D+01
      2  -0.341675D+01 -0.912204D+01 -0.270728D+01  0.395001D+00 -0.193928D+01
      3  -0.289240D+01 -0.329988D+01 -0.549046D+01 -0.338574D+01 -0.909210D+00
      4   0.134985D+02  0.144466D+02  0.195963D+02  0.216265D+02  0.162898D+02
      5   0.144820D+02  0.241908D+02  0.159434D+02  0.173299D+02  0.167019D+02
      6   0.586726D+01  0.722250D+01  0.927405D+01  0.107408D+02  0.124396D+02
               421           422           423 
      1   0.235559D+02  0.482721D+01  0.483284D+01
      2  -0.191671D+02 -0.607047D+01 -0.161250D+02
      3  -0.438881D+01  0.124327D+01  0.112921D+02
      4   0.251968D+02  0.214402D+02  0.279455D+02
      5   0.407141D+02  0.290374D+02  0.534537D+02
      6   0.161594D+02  0.166557D+02  0.216784D+02
 Leave Link  716 at Sun Jul 18 09:45:14 2021, MaxMem=  5637144576 cpu:               7.6 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.340610D+03 -0.448959D+00 -0.480058D+01
      2  -0.448959D+00  0.272445D+03  0.458539D+00
      3  -0.480058D+01  0.458539D+00  0.252545D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.403101D+01 -0.120409D+01 -0.521265D+02
      2  -0.262609D+00 -0.149755D+02 -0.230231D+01
      3   0.841190D+02 -0.470143D+01  0.177652D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.464417D+01 -0.997872D+02 -0.866636D+01
      2   0.931806D+01  0.193802D+03 -0.168229D+00
      3  -0.467389D+01 -0.940152D+02  0.883459D+01
      4   0.240691D+02  0.165446D+02 -0.314293D+02
      5  -0.150250D+02 -0.278716D+02 -0.927506D+01
      6  -0.608852D+01 -0.117118D+02  0.549148D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.424390D+01  0.642149D+00  0.945548D+00  0.364716D+00 -0.191619D+01
      2   0.642149D+00 -0.681897D+00  0.723675D-01 -0.191619D+01 -0.630971D+01
      3   0.945548D+00  0.723675D-01  0.140506D+01  0.674413D+00  0.793936D+00
                 6             7             8             9            10 
      1   0.674413D+00  0.394075D+01  0.127913D+01 -0.212391D+00  0.100623D+02
      2   0.793936D+00  0.127913D+01  0.975102D+00 -0.557950D+00  0.359917D+01
      3   0.561651D+00 -0.212391D+00 -0.557950D+00  0.388286D+01 -0.751034D+00
                11            12            13            14            15 
      1   0.359917D+01 -0.751034D+00  0.103023D+02  0.382683D+01 -0.336834D+01
      2   0.518689D+01 -0.188080D+01  0.382683D+01  0.583418D+00  0.907930D-01
      3  -0.188080D+01  0.118029D+01 -0.336834D+01  0.907930D-01  0.206890D+01
                16            17            18            19            20 
      1  -0.629956D+01 -0.282641D-01  0.309787D+01  0.145677D+02 -0.318459D+01
      2  -0.282641D-01 -0.294883D+01  0.143883D+01 -0.318459D+01  0.263058D+01
      3   0.309787D+01  0.143883D+01 -0.213790D+01  0.490528D+01 -0.131034D+01
                21            22            23            24            25 
      1   0.490528D+01 -0.104163D+02  0.733421D+00  0.336919D+01  0.423486D+01
      2  -0.131034D+01  0.733421D+00 -0.801948D+00 -0.241180D+00  0.263022D+01
      3   0.277277D+01  0.336919D+01 -0.241180D+00 -0.865911D+00 -0.184201D+01
                26            27            28            29            30 
      1   0.263022D+01 -0.184201D+01 -0.723383D+01  0.976806D+00 -0.350794D+01
      2  -0.258411D+01 -0.115234D+00  0.976806D+00  0.456779D+00  0.104397D+01
      3  -0.115234D+00  0.543533D+00 -0.350794D+01  0.104397D+01 -0.310689D+01
                31            32            33            34            35 
      1   0.266705D+01 -0.156745D+01  0.556386D+00 -0.555449D+01  0.121085D+01
      2  -0.156745D+01  0.518253D+01 -0.484817D+00  0.121085D+01  0.735416D+00
      3   0.556386D+00 -0.484817D+00 -0.350874D+00 -0.497714D+01 -0.365954D+00
                36            37            38            39            40 
      1  -0.497714D+01 -0.678004D+01  0.459986D+01  0.109579D+01  0.555402D+01
      2  -0.365954D+00  0.459986D+01 -0.922727D+00 -0.175031D+00 -0.954045D+00
      3  -0.196167D+01  0.109579D+01 -0.175031D+00  0.258239D+01 -0.114842D-01
                41            42            43            44            45 
      1  -0.954045D+00 -0.114842D-01  0.384016D+00  0.582543D-01  0.330713D+01
      2  -0.160448D+01  0.846909D+00  0.582543D-01  0.789326D+00  0.182674D+01
      3   0.846909D+00  0.181236D+01  0.330713D+01  0.182674D+01  0.853947D+00
                46            47            48            49            50 
      1   0.129369D+01 -0.336954D+01  0.438180D+00 -0.584760D+01 -0.122552D+01
      2  -0.336954D+01 -0.639297D+00  0.297383D+00 -0.122552D+01  0.186063D+01
      3   0.438180D+00  0.297383D+00 -0.362732D+01  0.417878D+00 -0.473669D+00
                51            52            53            54            55 
      1   0.417878D+00  0.185902D+01  0.366420D+00 -0.628112D+01  0.308084D+01
      2  -0.473669D+00  0.366420D+00 -0.477129D+00 -0.307073D+01  0.160594D+01
      3  -0.256439D+01 -0.628112D+01 -0.307073D+01  0.754755D+00  0.431727D+00
                56            57            58            59            60 
      1   0.160594D+01  0.431727D+00 -0.148280D+01 -0.447260D+00  0.173676D+01
      2  -0.257829D+01  0.387828D+00 -0.447260D+00  0.112254D+01 -0.243141D+00
      3   0.387828D+00  0.453266D+01  0.173676D+01 -0.243141D+00 -0.863758D+00
                61            62            63            64            65 
      1   0.419164D+01 -0.184427D+01  0.578367D+01 -0.153186D+01 -0.118444D+01
      2  -0.184427D+01  0.865632D+00  0.835636D+00 -0.118444D+01  0.209800D+00
      3   0.578367D+01  0.835636D+00  0.625637D+01  0.157779D+01  0.177339D+01
                66            67            68            69            70 
      1   0.157779D+01  0.144665D+01  0.860103D+00  0.996695D-01 -0.697932D+00
      2   0.177339D+01  0.860103D+00 -0.110015D+01  0.136770D+01 -0.948523D+00
      3   0.759806D+00  0.996695D-01  0.136770D+01  0.395233D+01  0.173274D+01
                71            72            73            74            75 
      1  -0.948523D+00  0.173274D+01 -0.591845D+01  0.150747D+01 -0.130479D+00
      2   0.421685D+01  0.262202D+01  0.150747D+01 -0.168707D+01  0.330531D+01
      3   0.262202D+01  0.760544D+01 -0.130479D+00  0.330531D+01  0.104759D+00
                76            77            78            79            80 
      1   0.117585D+01  0.126122D-01 -0.320712D+00 -0.209540D+00  0.226401D+01
      2   0.126122D-01  0.125536D+02  0.137496D+01  0.226401D+01  0.129829D+01
      3  -0.320712D+00  0.137496D+01  0.177965D+01 -0.800930D+00  0.806227D+00
                81            82            83            84            85 
      1  -0.800930D+00  0.706167D+00 -0.271636D+01 -0.186530D+01 -0.113271D+01
      2   0.806227D+00 -0.271636D+01 -0.431436D+01 -0.675193D+00 -0.277681D+01
      3  -0.245586D+01 -0.186530D+01 -0.675193D+00  0.169885D+01  0.335610D+00
                86            87            88            89            90 
      1  -0.277681D+01  0.335610D+00 -0.134204D+01 -0.425064D-01  0.231417D+01
      2  -0.814177D+01 -0.133622D+01 -0.425064D-01  0.115564D+01 -0.110591D+01
      3  -0.133622D+01 -0.801358D-01  0.231417D+01 -0.110591D+01  0.162311D+00
                91            92            93            94            95 
      1  -0.927716D+00 -0.261206D+01  0.187037D+01 -0.866497D+00  0.259007D+01
      2  -0.261206D+01  0.420459D+01 -0.822348D+00  0.259007D+01 -0.803629D+01
      3   0.187037D+01 -0.822348D+00 -0.168206D+01  0.166531D+00  0.151284D+01
                96            97            98            99           100 
      1   0.166531D+00  0.106143D+01 -0.253006D+00 -0.231028D+01  0.718289D+01
      2   0.151284D+01 -0.253006D+00 -0.105186D+01 -0.113045D+01  0.112251D+01
      3  -0.806441D-01 -0.231028D+01 -0.113045D+01 -0.170238D+00  0.157333D-01
               101           102           103           104           105 
      1   0.112251D+01  0.157333D-01  0.548514D+00  0.637032D+00 -0.399632D+00
      2   0.196057D+01  0.282353D+01  0.637032D+00  0.121168D+02 -0.135521D+01
      3   0.282353D+01 -0.223518D+00 -0.399632D+00 -0.135521D+01  0.157668D+01
               106           107           108           109           110 
      1   0.784710D+00  0.230250D+01  0.112857D+01 -0.985691D+01  0.412962D+01
      2   0.230250D+01 -0.129526D+01  0.115098D+01  0.412962D+01 -0.609855D+01
      3   0.112857D+01  0.115098D+01  0.246446D+01  0.215659D+00 -0.156912D+01
               111           112           113           114           115 
      1   0.215659D+00  0.102793D+02 -0.468326D+01 -0.238718D+01  0.708460D+01
      2  -0.156912D+01 -0.468326D+01  0.943309D+00  0.195503D+00 -0.245975D+00
      3  -0.485708D+00 -0.238718D+01  0.195503D+00  0.184685D+01 -0.312722D+01
               116           117           118           119           120 
      1  -0.245975D+00 -0.312722D+01 -0.154003D+02 -0.313193D+01 -0.504479D+01
      2   0.289636D+01  0.128996D+01 -0.313193D+01 -0.274342D+01 -0.115444D+01
      3   0.128996D+01  0.166626D+01 -0.504479D+01 -0.115444D+01 -0.317673D+01
               121           122           123           124           125 
      1  -0.918480D+01 -0.522825D+00  0.330075D+01 -0.438419D+01  0.259690D+01
      2  -0.522825D+00 -0.582374D+00  0.594924D-01  0.259690D+01  0.238226D+01
      3   0.330075D+01  0.594924D-01 -0.103063D+01  0.139634D+01 -0.246676D+00
               126           127           128           129           130 
      1   0.139634D+01 -0.223707D+01  0.221759D+01  0.488763D+00 -0.868893D+00
      2  -0.246676D+00  0.221759D+01  0.278505D+01  0.563644D+00  0.675067D+00
      3  -0.119627D+01  0.488763D+00  0.563644D+00 -0.435210D+01  0.172990D+01
               131           132           133           134           135 
      1   0.675067D+00  0.172990D+01 -0.461814D+01 -0.181406D+01 -0.565793D+01
      2   0.904621D+00  0.355974D+00 -0.181406D+01 -0.608222D+00  0.853760D+00
      3   0.355974D+00 -0.627078D+00 -0.565793D+01  0.853760D+00 -0.667936D+01
               136           137           138           139           140 
      1   0.899260D+00 -0.109347D+01 -0.139304D+01  0.149487D+01 -0.122037D+01
      2  -0.109347D+01  0.691201D-01  0.158722D+01 -0.122037D+01 -0.120930D+01
      3  -0.139304D+01  0.158722D+01 -0.554220D+00 -0.332023D+00 -0.175358D+01
               141           142           143           144           145 
      1  -0.332023D+00  0.443806D+00 -0.130685D+01 -0.150624D+01  0.432171D+01
      2  -0.175358D+01 -0.130685D+01 -0.413888D+01  0.244144D+01 -0.265700D+01
      3   0.382729D+01 -0.150624D+01  0.244144D+01 -0.770204D+01 -0.796069D+00
               146           147           148           149           150 
      1  -0.265700D+01 -0.796069D+00 -0.610857D+01  0.647887D+01 -0.476363D+00
      2   0.339459D+01 -0.130490D+01  0.647887D+01 -0.555826D+01 -0.438527D+00
      3  -0.130490D+01 -0.105747D+01 -0.476363D+00 -0.438527D+00 -0.148795D+01
               151           152           153           154           155 
      1  -0.207519D+01 -0.229537D+01 -0.272129D+00  0.995724D+00 -0.235631D+01
      2  -0.229537D+01 -0.515130D-01 -0.215024D+01 -0.235631D+01 -0.385292D+00
      3  -0.272129D+00 -0.215024D+01 -0.168948D+01 -0.253692D+01  0.321224D+01
               156           157           158           159           160 
      1  -0.253692D+01 -0.365139D+01 -0.310751D+00  0.410965D+01 -0.291886D+01
      2   0.321224D+01 -0.310751D+00  0.683569D+00 -0.159273D+01  0.392264D+01
      3   0.165363D+01  0.410965D+01 -0.159273D+01  0.514177D+00  0.178151D+01
               161           162           163           164           165 
      1   0.392264D+01  0.178151D+01  0.513786D+01  0.276184D+01  0.641089D+00
      2  -0.165988D+01  0.869724D+00  0.276184D+01  0.161637D+01 -0.277904D+01
      3   0.869724D+00 -0.170486D+01  0.641089D+00 -0.277904D+01 -0.242857D+00
               166           167           168           169           170 
      1   0.469125D+01  0.283016D+01 -0.409187D+01  0.806690D+00 -0.414703D+01
      2   0.283016D+01 -0.478058D+00  0.901094D+00 -0.414703D+01  0.735084D+00
      3  -0.409187D+01  0.901094D+00 -0.167985D+01  0.627654D+00 -0.186131D+01
               171           172           173           174           175 
      1   0.627654D+00  0.380389D+01  0.671526D+00  0.740008D+00  0.399842D+01
      2  -0.186131D+01  0.671526D+00  0.563529D+00  0.227237D+01  0.247616D+01
      3   0.730320D+00  0.740008D+00  0.227237D+01  0.192620D+01  0.285893D+01
               176           177           178           179           180 
      1   0.247616D+01  0.285893D+01 -0.425158D+00  0.207194D+01  0.292971D+01
      2   0.329698D+01 -0.308271D+00  0.207194D+01 -0.797987D+00  0.289094D+01
      3  -0.308271D+00  0.227493D+01  0.292971D+01  0.289094D+01  0.268425D+01
               181           182           183           184           185 
      1   0.172225D-01 -0.596955D+01  0.886487D-01  0.116348D+01 -0.212178D+00
      2  -0.596955D+01 -0.236314D+00 -0.241465D+01 -0.212178D+00 -0.906261D+01
      3   0.886487D-01 -0.241465D+01  0.480817D-01 -0.189098D+01  0.266970D+00
               186           187           188           189           190 
      1  -0.189098D+01  0.232039D-01 -0.327612D+01  0.151588D+00  0.853842D+01
      2   0.266970D+00 -0.327612D+01  0.733092D-01 -0.445920D+01 -0.145553D+01
      3  -0.123852D+01  0.151588D+00 -0.445920D+01  0.301177D+00 -0.372594D+00
               191           192           193           194           195 
      1  -0.145553D+01 -0.372594D+00 -0.429677D+01  0.135248D+01 -0.178305D+00
      2   0.432330D+00  0.562478D+00  0.135248D+01 -0.103927D+02 -0.247438D+01
      3   0.562478D+00  0.132507D+01 -0.178305D+00 -0.247438D+01 -0.279629D+01
               196           197           198           199           200 
      1  -0.297533D+01  0.704309D+00  0.676000D+00 -0.920771D+01 -0.787973D+00
      2   0.704309D+00 -0.159215D+01 -0.307992D+01 -0.787973D+00 -0.789554D+00
      3   0.676000D+00 -0.307992D+01 -0.659752D+01  0.458505D+00  0.463328D+00
               201           202           203           204           205 
      1   0.458505D+00 -0.313868D+01 -0.170238D+01  0.287109D-01  0.323761D+01
      2   0.463328D+00 -0.170238D+01 -0.944123D+01  0.272133D+01  0.580495D+00
      3  -0.162507D+01  0.287109D-01  0.272133D+01 -0.253469D+01 -0.104254D+01
               206           207           208           209           210 
      1   0.580495D+00 -0.104254D+01 -0.216561D+01  0.974898D+00  0.235673D+01
      2   0.201673D+01 -0.285378D+01  0.974898D+00 -0.830640D+00 -0.137176D+01
      3  -0.285378D+01  0.753521D+01  0.235673D+01 -0.137176D+01 -0.415315D+01
               211           212           213           214           215 
      1   0.935572D+00 -0.493846D+00 -0.614749D+00  0.230911D+01 -0.357902D+00
      2  -0.493846D+00  0.676176D+00  0.468342D+00 -0.357902D+00  0.772415D+00
      3  -0.614749D+00  0.468342D+00  0.545553D-02 -0.228589D+01  0.297798D+00
               216           217           218           219           220 
      1  -0.228589D+01  0.367129D+00 -0.363052D+00  0.235119D-02 -0.111026D+01
      2   0.297798D+00 -0.363052D+00  0.324943D+00 -0.356845D-01  0.877363D+00
      3   0.394864D+01  0.235119D-02 -0.356845D-01 -0.821599D+00 -0.120533D+01
               221           222           223           224           225 
      1   0.877363D+00 -0.120533D+01  0.653182D+00 -0.230340D+00  0.467318D-01
      2  -0.329092D+01  0.332094D+01 -0.230340D+00  0.224316D+01 -0.259826D+01
      3   0.332094D+01 -0.444652D+01  0.467318D-01 -0.259826D+01  0.426891D+01
               226           227           228           229           230 
      1  -0.118327D+01 -0.547932D+00 -0.745343D+00 -0.163581D+01 -0.852375D-01
      2  -0.547932D+00 -0.447745D+00  0.197034D+00 -0.852375D-01  0.789411D+00
      3  -0.745343D+00  0.197034D+00 -0.946124D+00 -0.187577D-01 -0.655836D+00
               231           232           233           234           235 
      1  -0.187577D-01 -0.386441D+01 -0.659857D+00  0.899866D+00  0.288839D+00
      2  -0.655836D+00 -0.659857D+00 -0.124097D+01  0.116229D+01  0.847375D+00
      3  -0.553810D+00  0.899866D+00  0.116229D+01 -0.549178D+01  0.137370D+00
               236           237           238           239           240 
      1   0.847375D+00  0.137370D+00  0.315191D+01  0.196848D+01 -0.747807D+00
      2   0.778805D+00 -0.758795D-01  0.196848D+01  0.869455D+01 -0.125128D+01
      3  -0.758795D-01 -0.248334D+00 -0.747807D+00 -0.125128D+01  0.908764D+00
               241           242           243           244           245 
      1   0.154825D+00 -0.573373D-01  0.133374D+00  0.584926D+01  0.205046D+01
      2  -0.573373D-01  0.759658D-01  0.904860D+00  0.205046D+01  0.129108D+01
      3   0.133374D+00  0.904860D+00 -0.469015D+00 -0.324698D+01 -0.102081D+01
               246           247           248           249           250 
      1  -0.324698D+01  0.252208D+01  0.183628D+01 -0.116388D+01 -0.592610D+01
      2  -0.102081D+01  0.183628D+01  0.121365D+01 -0.132968D+01 -0.180440D+01
      3   0.249084D+01 -0.116388D+01 -0.132968D+01  0.135712D+01  0.482590D+01
               251           252           253           254           255 
      1  -0.180440D+01  0.482590D+01  0.419577D+01  0.194216D+01  0.173139D+01
      2  -0.173816D+01  0.215543D+01  0.194216D+01  0.127202D+01  0.616689D+00
      3   0.215543D+01 -0.471421D+01  0.173139D+01  0.616689D+00  0.151447D+01
               256           257           258           259           260 
      1   0.293508D+01  0.182068D+01  0.748077D+00  0.449191D+01  0.160358D+01
      2   0.182068D+01  0.156386D+01  0.103496D+01  0.160358D+01  0.198168D+01
      3   0.748077D+00  0.103496D+01  0.112839D+01  0.290667D+01  0.165874D+01
               261           262           263           264           265 
      1   0.290667D+01 -0.226684D+01 -0.137434D+01 -0.945120D+00 -0.199679D+01
      2   0.165874D+01 -0.137434D+01 -0.455720D+00 -0.183816D+00 -0.782737D-01
      3   0.290518D+01 -0.945120D+00 -0.183816D+00 -0.118538D+01  0.148852D-01
               266           267           268           269           270 
      1  -0.782737D-01  0.148852D-01 -0.182504D+01 -0.143768D+00 -0.182014D+00
      2  -0.838550D+00 -0.886678D+00 -0.143768D+00 -0.171463D+01 -0.149952D+01
      3  -0.886678D+00 -0.114620D+01 -0.182014D+00 -0.149952D+01 -0.366447D+01
               271           272           273           274           275 
      1   0.128688D+02 -0.407592D+01 -0.161921D+01 -0.413224D+01  0.286902D+01
      2  -0.407592D+01  0.243953D+01  0.364018D+00  0.286902D+01 -0.182050D+01
      3  -0.161921D+01  0.364018D+00  0.858892D+00  0.572250D+00 -0.393200D+00
               276           277           278           279           280 
      1   0.572250D+00 -0.515032D+00  0.259022D+00  0.119173D+01  0.822563D+01
      2  -0.393200D+00  0.259022D+00 -0.172413D+00 -0.744172D+00 -0.128014D+01
      3  -0.621819D+00  0.119173D+01 -0.744172D+00 -0.375111D+00  0.373857D+01
               281           282           283           284           285 
      1  -0.128014D+01  0.373857D+01  0.303267D+00  0.131864D+01 -0.213560D-01
      2   0.811771D+00 -0.817098D+00  0.131864D+01 -0.888043D+00  0.747389D+00
      3  -0.817098D+00  0.304580D+01 -0.213560D-01  0.747389D+00  0.325048D+00
               286           287           288           289           290 
      1   0.723155D+01 -0.181402D+01  0.475538D+01 -0.265942D+00 -0.103234D+01
      2  -0.181402D+01  0.117501D+01 -0.108382D+01 -0.103234D+01 -0.470760D+00
      3   0.475538D+01 -0.108382D+01  0.500341D+01  0.202577D-01  0.153705D+00
               291           292           293           294           295 
      1   0.202577D-01 -0.337810D+01  0.209341D+01 -0.249151D+00  0.389160D+00
      2   0.153705D+00  0.209341D+01 -0.738100D+01  0.944078D+00 -0.334356D+00
      3   0.503150D-01 -0.249151D+00  0.944078D+00 -0.102975D+01  0.774516D+00
               296           297           298           299           300 
      1  -0.334356D+00  0.774516D+00  0.264140D+01  0.311499D+01  0.962818D+00
      2   0.165446D+00 -0.671601D+00  0.311499D+01  0.630150D+01  0.113084D+01
      3  -0.671601D+00  0.452667D+00  0.962818D+00  0.113084D+01  0.660779D+00
               301           302           303           304           305 
      1   0.238528D+01  0.293950D+01  0.705918D+00  0.527788D+00  0.631824D+00
      2   0.293950D+01  0.107328D+02  0.162734D+01  0.631824D+00  0.794496D+00
      3   0.705918D+00  0.162734D+01  0.119969D+01  0.415619D+00  0.171689D+01
               306           307           308           309           310 
      1   0.415619D+00 -0.311157D+01  0.131779D+01  0.145535D+01  0.540006D+00
      2   0.171689D+01  0.131779D+01 -0.151996D+01 -0.107430D+01 -0.650853D+00
      3   0.695423D+00  0.145535D+01 -0.107430D+01 -0.179980D+01 -0.473134D+00
               311           312           313           314           315 
      1  -0.650853D+00 -0.473134D+00  0.176756D+01 -0.989013D+00 -0.150333D+01
      2   0.179744D+01  0.115324D+01 -0.989013D+00  0.231251D+01  0.153054D+01
      3   0.115324D+01  0.855305D+00 -0.150333D+01  0.153054D+01  0.271308D+01
               316           317           318           319           320 
      1   0.312904D+01  0.130719D+01 -0.149231D+01  0.474992D+00  0.576734D+00
      2   0.130719D+01  0.144985D+01 -0.106885D+01  0.576734D+00  0.161321D+01
      3  -0.149231D+01 -0.106885D+01  0.189786D+01 -0.430401D+00 -0.108162D+01
               321           322           323           324           325 
      1  -0.430401D+00 -0.168077D+01 -0.102505D+01  0.151227D+01 -0.245756D+01
      2  -0.108162D+01 -0.102505D+01 -0.218965D+01  0.149639D+01  0.293871D+01
      3   0.777773D+00  0.151227D+01  0.149639D+01 -0.274709D+01 -0.988847D+00
               326           327           328           329           330 
      1   0.293871D+01 -0.988847D+00  0.224063D+01 -0.275560D+01  0.744389D+00
      2  -0.621998D+01  0.123929D+01 -0.275560D+01  0.106878D+02 -0.177902D+01
      3   0.123929D+01 -0.686655D+00  0.744389D+00 -0.177902D+01  0.126470D+01
               331           332           333           334           335 
      1  -0.557148D+00  0.678849D+00 -0.401521D+00  0.270814D+01  0.992541D+00
      2   0.678849D+00 -0.991338D+00  0.174787D+01  0.992541D+00  0.770445D+00
      3  -0.401521D+00  0.174787D+01 -0.776882D+00 -0.246783D+01 -0.123542D+01
               336           337           338           339           340 
      1  -0.246783D+01  0.933624D+00  0.504207D+00 -0.478900D+00 -0.235878D+01
      2  -0.123542D+01  0.504207D+00  0.630011D+00 -0.424123D+00 -0.322301D+00
      3   0.410382D+01 -0.478900D+00 -0.424123D+00 -0.207502D+00  0.226312D+01
               341           342           343           344           345 
      1  -0.322301D+00  0.226312D+01 -0.302762D+00 -0.425646D+00 -0.137241D+00
      2  -0.743604D+00  0.147239D+00 -0.425646D+00 -0.337370D+00 -0.454968D-01
      3   0.147239D+00 -0.362175D+01 -0.137241D+00 -0.454968D-01  0.865866D+00
               346           347           348           349           350 
      1  -0.111997D+01 -0.774529D+00 -0.111855D+01 -0.620671D+00 -0.200078D+00
      2  -0.774529D+00 -0.328742D+01 -0.330338D+01 -0.200078D+00 -0.230580D+01
      3  -0.111855D+01 -0.330338D+01 -0.448900D+01  0.362754D-01 -0.261163D+01
               351           352           353           354           355 
      1   0.362754D-01 -0.482162D+01  0.283676D+01  0.579264D-01  0.547684D+01
      2  -0.261163D+01  0.283676D+01 -0.322986D+01  0.344261D+00 -0.501363D+01
      3  -0.407430D+01  0.579264D-01  0.344261D+00 -0.312236D+00 -0.416923D+00
               356           357           358           359           360 
      1  -0.501363D+01 -0.416923D+00 -0.217475D+01  0.174394D+01 -0.464832D+00
      2   0.772933D+01 -0.681865D-01  0.174394D+01 -0.211346D+01  0.119233D+01
      3  -0.681865D-01  0.106842D+01 -0.464832D+00  0.119233D+01 -0.580797D+00
               361           362           363           364           365 
      1   0.252219D+01  0.608526D+00  0.722793D+00  0.167486D+01 -0.489105D+00
      2   0.608526D+00  0.660351D+00  0.790083D+00 -0.489105D+00  0.230018D+01
      3   0.722793D+00  0.790083D+00  0.104792D+01 -0.480158D-02  0.132568D+01
               366           367           368           369           370 
      1  -0.480158D-02  0.234154D+01  0.574549D+00 -0.355135D-01 -0.773345D+01
      2   0.132568D+01  0.574549D+00  0.183759D+01  0.227639D+01  0.244132D+01
      3   0.125448D+01 -0.355135D-01  0.227639D+01  0.372318D+01  0.382529D+01
               371           372           373           374           375 
      1   0.244132D+01  0.382529D+01  0.377147D+01 -0.219057D+01 -0.224369D+01
      2  -0.147530D+01 -0.167806D+01 -0.219057D+01  0.200619D+01  0.174555D+01
      3  -0.167806D+01 -0.291409D+01 -0.224369D+01  0.174555D+01  0.173359D+01
               376           377           378           379           380 
      1   0.386446D+01 -0.156556D+01 -0.352069D+01  0.237303D+01 -0.973385D+00
      2  -0.156556D+01  0.122187D+01  0.140193D+01 -0.973385D+00  0.797991D+00
      3  -0.352069D+01  0.140193D+01  0.357299D+01  0.840633D+00 -0.484990D+00
               381           382           383           384           385 
      1   0.840633D+00 -0.196859D+01  0.607575D+00 -0.528403D+00  0.166418D+01
      2  -0.484990D+00  0.607575D+00 -0.189983D+01  0.123575D+01 -0.465319D+00
      3   0.534432D+00 -0.528403D+00  0.123575D+01 -0.191460D+01 -0.333435D+00
               386           387           388           389           390 
      1  -0.465319D+00 -0.333435D+00 -0.106551D+02 -0.355742D+01  0.119303D+01
      2   0.131532D+01 -0.118386D+01 -0.355742D+01 -0.204956D+01  0.571228D+00
      3  -0.118386D+01  0.322300D+01  0.119303D+01  0.571228D+00 -0.933425D+00
               391           392           393           394           395 
      1  -0.605238D+01 -0.336482D+01  0.105953D+01  0.299759D+01  0.141485D+01
      2  -0.336482D+01 -0.255045D+01  0.295235D+00  0.141485D+01  0.608596D+00
      3   0.105953D+01  0.295235D+00 -0.522883D+00 -0.171084D+01 -0.452773D+00
               396           397           398           399           400 
      1  -0.171084D+01 -0.451611D+01  0.128816D+01 -0.179083D+01  0.337745D+01
      2  -0.452773D+00  0.128816D+01 -0.110060D+01  0.788280D+00 -0.241222D+01
      3   0.822387D+00 -0.179083D+01  0.788280D+00 -0.113853D+01  0.191911D+01
               401           402           403           404           405 
      1  -0.241222D+01  0.191911D+01 -0.386146D+01  0.162917D+01 -0.227256D+01
      2   0.249343D+01 -0.136528D+01  0.162917D+01 -0.139443D+01  0.136625D+01
      3  -0.136528D+01  0.193111D+01 -0.227256D+01  0.136625D+01 -0.284282D+01
               406           407           408           409           410 
      1   0.435106D+00 -0.100249D+01  0.108560D+01 -0.374559D+01 -0.200552D+01
      2  -0.100249D+01 -0.728429D-01 -0.460064D-01 -0.200552D+01 -0.498749D+01
      3   0.108560D+01 -0.460064D-01  0.109705D+00 -0.485117D+00  0.626316D+00
               411           412           413           414           415 
      1  -0.485117D+00  0.332499D+01  0.395716D-01 -0.227207D+00 -0.339437D+01
      2   0.626316D+00  0.395716D-01  0.155814D+01 -0.112962D+01 -0.134394D+01
      3  -0.105054D+01 -0.227207D+00 -0.112962D+01  0.566412D+00 -0.221133D+01
               416           417           418           419           420 
      1  -0.134394D+01 -0.221133D+01 -0.227469D+01 -0.203145D+01 -0.149070D+01
      2  -0.112138D+01 -0.133646D+01 -0.203145D+01 -0.251301D+01 -0.177229D+01
      3  -0.133646D+01 -0.189697D+01 -0.149070D+01 -0.177229D+01 -0.184132D+01
               421           422           423 
      1  -0.488560D+01 -0.239177D+01 -0.372065D+01
      2  -0.239177D+01 -0.239191D+01 -0.310861D+01
      3  -0.372065D+01 -0.310861D+01 -0.568276D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.697238D+01  0.923211D-02 -0.366808D+01  0.277236D+01  0.687416D+01
      2   0.343132D+01  0.296140D+01  0.105715D+02  0.966135D+01  0.494933D+01
      3  -0.150670D+02  0.348699D+01  0.250694D+01  0.138080D+02  0.196116D+02
                 6             7             8             9            10 
      1  -0.504142D+01  0.244798D+01  0.701373D+01 -0.120435D+02 -0.618848D-01
      2   0.382622D+01 -0.119863D+02 -0.424055D+01  0.239099D+02 -0.219401D+02
      3  -0.200286D+01  0.351941D+01  0.148211D+01  0.400471D+00  0.122516D+02
                11            12            13            14            15 
      1   0.156574D+02 -0.111559D+01  0.283848D+02 -0.534715D+01 -0.466642D+01
      2  -0.139636D+02  0.188046D+01 -0.392096D+02 -0.652982D+01  0.140205D+02
      3  -0.124745D+02  0.572325D+01  0.295482D+01  0.111984D+02 -0.109463D+02
                16            17            18            19            20 
      1   0.177626D+01 -0.980103D+01  0.100019D+02 -0.918215D+01  0.123124D+02
      2   0.103366D+02  0.254777D+01 -0.186663D+02 -0.288065D+02  0.203120D+01
      3  -0.650436D+01  0.676309D+01  0.261883D+01  0.180227D+02 -0.108499D+02
                21            22            23            24            25 
      1  -0.864914D+01 -0.332548D+01 -0.123217D+01 -0.206301D+01  0.783181D+01
      2  -0.642099D+01  0.327707D+02 -0.106581D+02 -0.159940D+02 -0.356739D+02
      3   0.737812D+01 -0.154928D+01  0.111220D+01  0.134851D+02  0.245161D+01
                26            27            28            29            30 
      1  -0.607923D+01 -0.424329D+00 -0.744309D+00  0.204962D+01 -0.268270D+01
      2  -0.691329D+01  0.711873D+01  0.590556D+00  0.302045D+00 -0.508256D+01
      3   0.147270D+02 -0.642082D+01  0.220868D+01 -0.517394D+01  0.141871D+00
                31            32            33            34            35 
      1   0.646695D+00  0.103035D+02 -0.543815D+01 -0.825123D+01  0.123097D+01
      2  -0.553841D+01  0.452617D+01 -0.462447D+01 -0.157217D+02 -0.305066D+01
      3   0.133106D+02 -0.269488D+02 -0.106344D+01  0.133183D+01 -0.577289D+01
                36            37            38            39            40 
      1  -0.371645D+00 -0.389055D+01  0.503199D+00  0.236946D+01  0.598787D+00
      2  -0.193887D+00 -0.213188D+01  0.335892D+01  0.174955D+02  0.300425D+01
      3   0.810235D+01 -0.202110D+02 -0.257101D+01 -0.403299D-01  0.511578D+00
                41            42            43            44            45 
      1   0.223127D+01 -0.145690D+01  0.307515D+01  0.321985D+01 -0.192098D+01
      2   0.516830D+01  0.100669D+02  0.179474D+02  0.105447D+02  0.633965D+01
      3   0.127321D+02 -0.552013D+01 -0.233772D+01 -0.507321D+01 -0.120853D+02
                46            47            48            49            50 
      1   0.475837D+01 -0.267648D+00  0.352863D+01 -0.215710D+01 -0.322068D+01
      2   0.502170D+01 -0.114530D+01 -0.185506D+02 -0.126307D+01 -0.402909D+01
      3   0.234944D+02 -0.353777D+01 -0.191976D+01 -0.121598D+01 -0.135909D+02
                51            52            53            54            55 
      1   0.265957D+01  0.686477D+01  0.709917D+01  0.110106D+01  0.155696D+01
      2  -0.122755D+02 -0.379149D+02 -0.159788D+02  0.121727D-01 -0.117180D+02
      3   0.465290D+01  0.222771D+00  0.339885D+01  0.805360D+01  0.186766D+02
                56            57            58            59            60 
      1  -0.111237D+02  0.358713D+01 -0.931952D+01 -0.413936D+01 -0.314207D+01
      2  -0.273474D+01  0.156990D+02  0.177486D+02  0.471070D+01 -0.514971D+01
      3   0.604478D+01 -0.473031D+01  0.113198D+01  0.300691D+01  0.373396D+01
                61            62            63            64            65 
      1  -0.141380D+02  0.921457D+01 -0.778914D+01 -0.632895D+01 -0.625911D+01
      2   0.881914D+01  0.555123D+01  0.594479D+01  0.230127D+02  0.697403D+01
      3   0.331399D+01 -0.625139D+01  0.924909D+01 -0.156481D+02 -0.828573D+00
                66            67            68            69            70 
      1   0.877651D-01  0.241549D+01 -0.122258D+02  0.542435D+01 -0.616372D+01
      2   0.408829D+01 -0.292579D+01  0.597104D+01  0.501014D+01  0.284399D+01
      3  -0.697797D+00  0.475759D+01  0.768712D+01 -0.126409D+02 -0.136168D+01
                71            72            73            74            75 
      1   0.946052D+01 -0.903520D+01  0.255078D+02 -0.149770D+02  0.960019D+01
      2   0.816467D+01  0.129891D+02  0.454276D+01 -0.242282D+01  0.342771D+01
      3  -0.667489D+01 -0.421981D+00 -0.269183D+02  0.404944D+01 -0.735093D+01
                76            77            78            79            80 
      1   0.606707D+01  0.414751D+02  0.309412D+01  0.904716D+01  0.657502D+01
      2  -0.813459D+01  0.639609D+01  0.596462D+01  0.270649D+01  0.569083D+01
      3  -0.131915D+01 -0.344760D+02 -0.538724D+01 -0.113104D+02  0.376812D+01
                81            82            83            84            85 
      1   0.171427D+02  0.300645D+01  0.310466D-01 -0.118049D+02 -0.852356D+01
      2  -0.585025D+01 -0.308827D+01  0.373017D+01  0.584433D+01  0.203883D+01
      3  -0.152621D+02  0.758969D+01 -0.164797D+02 -0.710444D+01 -0.141357D+00
                86            87            88            89            90 
      1  -0.137779D+02 -0.528388D+01 -0.153076D+02  0.702064D+01 -0.878167D+01
      2  -0.690680D+00  0.740154D+00  0.145417D+01  0.182378D+01 -0.301571D+01
      3  -0.179744D+01  0.427355D+01 -0.685092D+01 -0.100837D+00  0.135507D+02
                91            92            93            94            95 
      1  -0.257760D+01  0.783194D+00  0.118608D+02 -0.760390D+01  0.131261D+02
      2  -0.237588D+01 -0.401654D+01  0.545093D+01 -0.670161D+00 -0.126760D+01
      3  -0.791622D+01 -0.167723D+02  0.739534D+01 -0.959323D-03  0.262624D+01
                96            97            98            99           100 
      1  -0.548280D+01  0.157454D+02  0.724098D+01  0.912067D+01 -0.257908D+02
      2  -0.804832D+00  0.488883D+00 -0.226347D+01 -0.303494D+01  0.118558D+02
      3   0.348416D+01  0.584770D+01 -0.615313D+00 -0.133870D+02  0.295404D+02
               101           102           103           104           105 
      1  -0.128972D+02 -0.924614D+01  0.446764D+01 -0.405609D+02  0.434847D+01
      2   0.426689D+01  0.291264D+01  0.587383D+01  0.798345D+01 -0.511512D+01
      3   0.268442D+01  0.569476D+01 -0.147104D+01  0.342322D+02 -0.536110D+01
               106           107           108           109           110 
      1  -0.949384D+01  0.387394D+01 -0.192393D+02  0.397105D+01  0.147276D+02
      2   0.270114D+01 -0.632673D+01 -0.306521D+01 -0.233850D+02  0.117262D+02
      3   0.125074D+02  0.485694D+01  0.169382D+02 -0.121445D+02 -0.141296D+02
               111           112           113           114           115 
      1  -0.691373D+00  0.299363D+02  0.252448D+01 -0.389123D+01 -0.392701D+01
      2  -0.170336D+01  0.325241D+02 -0.112518D+02 -0.125618D+02  0.916588D+01
      3  -0.559612D+01 -0.653478D+00 -0.126082D+02 -0.737791D+01  0.265127D+01
               116           117           118           119           120 
      1  -0.937511D+01 -0.103643D+02  0.119079D+02  0.125774D+02  0.750120D+01
      2  -0.176567D+01 -0.183705D+02 -0.309865D+02 -0.590416D+01 -0.609540D+01
      3   0.623158D+01 -0.258714D+01 -0.159068D+02 -0.121532D+02 -0.559354D+01
               121           122           123           124           125 
      1  -0.546823D+01  0.213206D+01 -0.230651D+01 -0.101086D+02 -0.614909D+01
      2  -0.305454D+02 -0.747271D+01  0.193738D+02 -0.335877D+02  0.808478D+01
      3   0.210483D+01  0.180577D+01  0.123683D+02  0.796117D+00  0.146131D+02
               126           127           128           129           130 
      1   0.225898D+01 -0.600630D+01 -0.124451D+02 -0.288343D+01 -0.106747D+02
      2   0.989257D+01 -0.143192D+02  0.466360D+01  0.190495D+02 -0.156714D+02
      3   0.559413D+01 -0.145164D+02  0.749669D+01  0.461991D+01  0.271796D+01
               131           132           133           134           135 
      1   0.351460D+01 -0.368188D+01  0.166315D+02  0.845812D+01  0.840571D+01
      2   0.478677D+01  0.504761D+01  0.648188D+01 -0.653573D+01  0.609749D+01
      3  -0.233929D+01  0.274717D+01 -0.535341D+01 -0.584206D+01 -0.840514D+01
               136           137           138           139           140 
      1   0.620908D+01 -0.581741D+01  0.524068D+00  0.512791D+01  0.145581D+02
      2   0.226950D+02 -0.675023D+01  0.374549D+01  0.381492D+01  0.508544D+01
      3   0.140749D+02 -0.107901D+01  0.508379D+00  0.285303D+01 -0.101489D+02
               141           142           143           144           145 
      1   0.599249D+01  0.727917D+01  0.110445D+02  0.100178D+02  0.428015D+01
      2  -0.864481D+01  0.302269D+01 -0.859051D+01  0.130542D+02  0.539370D+01
      3  -0.122643D+02  0.944518D+00 -0.677233D+01 -0.368117D+00  0.105565D+01
               146           147           148           149           150 
      1   0.501915D+01  0.253867D+01  0.518984D+01  0.275649D+00  0.162092D+00
      2   0.426645D+01  0.913002D+01 -0.704511D+01  0.312912D+01  0.802964D+01
      3   0.268476D+01 -0.100712D+02  0.132584D+02 -0.613699D+01 -0.263953D+01
               151           152           153           154           155 
      1  -0.348323D+01  0.103465D+02  0.589076D+01 -0.393280D+01 -0.265739D+01
      2  -0.563371D+01  0.162072D+02  0.157212D+02  0.979520D+01 -0.127309D+02
      3  -0.114869D+02 -0.575045D+01 -0.111458D+02 -0.148015D+02 -0.617954D+01
               156           157           158           159           160 
      1   0.483382D+01 -0.519378D+01  0.153596D+01 -0.515542D+01  0.723824D+01
      2  -0.180375D+01 -0.176643D+02  0.797851D+01 -0.109165D+02 -0.675684D+01
      3   0.165020D+02 -0.461428D+01  0.518914D+01 -0.391694D+01  0.209218D+02
               161           162           163           164           165 
      1  -0.316656D+00  0.231427D+01  0.749850D+00 -0.133628D+01 -0.157865D+01
      2  -0.119867D+02  0.527071D+01 -0.267637D+01  0.175091D+02  0.370336D+01
      3  -0.431379D+01  0.743162D+01  0.168507D+02  0.666996D+01 -0.167617D+02
               166           167           168           169           170 
      1  -0.177788D+01 -0.123493D+01 -0.304122D+01 -0.335499D+01 -0.312639D-01
      2   0.278384D+02 -0.334356D+01  0.942762D+01 -0.457654D+01  0.999646D+01
      3   0.185999D+02 -0.389150D+01  0.559004D+01 -0.268924D+02  0.380834D+01
               171           172           173           174           175 
      1  -0.559396D+00 -0.172902D+01  0.277138D+01  0.553476D+00  0.236486D+01
      2  -0.328795D+01  0.607289D+01 -0.794133D+01 -0.492115D+01 -0.457960D+01
      3  -0.103833D+02  0.623170D+00 -0.949507D-01  0.898925D+01  0.118362D+02
               176           177           178           179           180 
      1  -0.987333D+01  0.134951D+01  0.541423D+01  0.119673D+02  0.274235D+01
      2   0.123424D+02 -0.717102D+01 -0.192420D+02 -0.132220D+02 -0.467015D+01
      3   0.140813D+02 -0.103731D+02  0.105967D+02 -0.916329D+01  0.107754D+02
               181           182           183           184           185 
      1   0.175108D+01  0.152940D+02  0.340466D+00 -0.218722D+02 -0.155771D+01
      2   0.475555D+02  0.838706D+00  0.274605D+02  0.277100D+01 -0.382689D+01
      3  -0.202102D+01 -0.186524D+02 -0.104713D+01  0.744442D+02 -0.123157D+01
               186           187           188           189           190 
      1  -0.483300D+02 -0.133092D+01  0.239887D+02 -0.929082D+00  0.252716D+01
      2  -0.491110D+00 -0.473090D+02  0.110947D+01 -0.212454D+02  0.262410D+01
      3   0.512473D+01 -0.321547D+01 -0.205318D+02  0.822646D+00 -0.111123D+02
               191           192           193           194           195 
      1  -0.560450D+01  0.365679D+00 -0.702442D+01  0.750055D+01 -0.922699D+01
      2   0.175111D+00  0.631443D+01  0.302644D+00  0.975356D+00 -0.262653D+01
      3  -0.960199D+01 -0.172500D+01  0.776843D+01  0.677818D+01  0.692162D+01
               196           197           198           199           200 
      1   0.627384D+00  0.106131D+02 -0.430846D+01 -0.391011D+01 -0.648351D+01
      2  -0.789745D+01  0.130361D-01  0.109920D+01  0.401802D+01 -0.634929D+00
      3  -0.331435D+01  0.522576D+01 -0.453971D+00  0.971401D+01 -0.109234D+02
               201           202           203           204           205 
      1  -0.906171D+00 -0.811249D+01 -0.599794D+01 -0.711123D+01 -0.296759D+00
      2   0.817953D+01 -0.175084D+01  0.166658D+01  0.305360D+01 -0.646549D+01
      3   0.293982D+01  0.411922D+01 -0.612062D+01  0.774491D+01  0.567976D+01
               206           207           208           209           210 
      1   0.117536D+02  0.367933D+01  0.175633D+01 -0.270725D+01  0.198485D+00
      2  -0.383270D+00  0.776145D+00  0.102876D+02 -0.443168D+01 -0.832034D+01
      3   0.662583D+01  0.755828D-01 -0.166009D+01  0.319568D-03  0.302904D+01
               211           212           213           214           215 
      1  -0.119679D+01  0.143257D+01  0.766086D+00  0.158321D+01  0.258102D+01
      2  -0.645704D+01  0.226887D+01  0.158202D+01 -0.124363D+02  0.848055D+00
      3   0.313290D+01 -0.699095D+00 -0.846211D+00  0.380073D+01  0.728036D+00
               216           217           218           219           220 
      1  -0.227282D+01 -0.101808D+01  0.179759D+01 -0.493378D+00  0.218212D+01
      2   0.922024D+01 -0.124356D+00  0.777672D+00 -0.106853D+01  0.248294D+01
      3  -0.229631D+01  0.107497D+01 -0.182789D+01 -0.186255D+00  0.120178D+01
               221           222           223           224           225 
      1  -0.852432D+01  0.527448D+01 -0.310946D+00  0.751926D+01 -0.473378D+01
      2   0.359951D+01 -0.467361D+01 -0.260464D+01 -0.475896D+01  0.736461D+01
      3   0.539376D+01 -0.563050D+01 -0.619490D+00 -0.497785D+01  0.494756D+01
               226           227           228           229           230 
      1   0.355428D+01  0.645433D-01  0.240484D+01 -0.550524D+00  0.103231D+01
      2  -0.789403D+01  0.130934D+00 -0.605678D+01 -0.302224D+01 -0.408617D+01
      3  -0.172405D+01  0.393308D+00 -0.272519D+01 -0.201018D+01 -0.251170D+01
               231           232           233           234           235 
      1   0.174897D+01 -0.188813D+01  0.103141D+01  0.127782D+02 -0.182991D+01
      2  -0.232854D+01 -0.487632D+01  0.449388D+01 -0.246792D+02  0.243089D+01
      3   0.279580D+01 -0.531450D+01  0.177816D+01 -0.298294D+01 -0.377427D+01
               236           237           238           239           240 
      1  -0.910286D+00  0.377014D+00  0.466642D+00 -0.709849D+01 -0.340538D+01
      2   0.354422D+00 -0.345961D+00 -0.381036D+00 -0.566899D+01  0.371504D+01
      3  -0.786255D+00  0.936500D+00  0.576807D+01 -0.283201D+02  0.191433D+01
               241           242           243           244           245 
      1   0.339198D+00 -0.115616D+01  0.322260D+00  0.165669D+01 -0.923637D+00
      2  -0.606697D+00  0.322478D+01 -0.254191D+01 -0.111197D+02 -0.363015D+01
      3   0.136491D+01 -0.137344D+01 -0.319802D+01 -0.385926D+01 -0.584740D+01
               246           247           248           249           250 
      1  -0.292880D+01  0.566586D+00  0.207073D+00 -0.151967D+01 -0.494629D+01
      2   0.123051D+02 -0.353088D+01 -0.532607D+01  0.666976D+01  0.172960D+02
      3   0.148725D+01 -0.406467D+01 -0.394389D+01  0.490199D+01  0.337125D+00
               251           252           253           254           255 
      1   0.129806D+01  0.446574D+01 -0.340247D+01 -0.100041D+01 -0.260078D+01
      2   0.981607D+01 -0.214585D+02  0.978866D+01  0.401443D+01  0.101094D+02
      3   0.834501D+01 -0.487259D+01 -0.556970D+01 -0.604056D+01 -0.601380D+00
               256           257           258           259           260 
      1  -0.185451D+01 -0.173057D+01 -0.343509D+01 -0.394151D+01 -0.148534D+01
      2   0.512580D+01  0.627793D+01  0.663073D+01  0.150211D+02  0.881250D+01
      3  -0.300975D+01 -0.584949D+01 -0.463349D+01 -0.720063D+00 -0.103871D+02
               261           262           263           264           265 
      1  -0.533694D+01  0.148150D+01  0.137943D+01 -0.111637D+01  0.542287D+00
      2   0.180228D+02 -0.107028D+02 -0.402436D+01 -0.806994D+01 -0.295691D+01
      3  -0.462825D+01  0.120811D+02  0.585540D+01  0.268825D+01  0.718788D+01
               266           267           268           269           270 
      1  -0.261785D+00 -0.126218D+01  0.844068D-01  0.232861D+01 -0.266762D+01
      2  -0.592179D+01 -0.597688D+01 -0.100194D+02 -0.821442D+01 -0.200782D+02
      3   0.557468D+01  0.531750D+01  0.518059D+01  0.929790D+01  0.874997D+01
               271           272           273           274           275 
      1   0.807439D+00 -0.213230D+01  0.157812D+01 -0.947769D+00  0.744824D+00
      2  -0.981460D+00 -0.519940D+00  0.630487D+01 -0.419157D-01 -0.476545D+00
      3   0.947474D+01 -0.129783D+02 -0.440824D+00 -0.847798D+01  0.712976D+01
               276           277           278           279           280 
      1  -0.149043D+01  0.401929D+00  0.366700D+00  0.384286D-01  0.276904D+01
      2  -0.404075D+01  0.324137D+01 -0.368510D+01 -0.139030D+01  0.181745D+01
      3   0.123793D+01 -0.581986D+00  0.430468D+00  0.339914D+01 -0.443198D+01
               281           282           283           284           285 
      1   0.430583D+00  0.405947D+01  0.121282D+01 -0.132213D+00  0.581111D+00
      2  -0.932981D+00  0.101661D+02 -0.134312D+01  0.979484D+00  0.193819D+01
      3  -0.418359D+01 -0.129546D+01 -0.532127D+01  0.301964D+01 -0.299743D+01
               286           287           288           289           290 
      1   0.386405D+01  0.242472D+01  0.535831D+01 -0.254740D+01 -0.227355D+01
      2   0.684701D+01 -0.119419D+01  0.144094D+02  0.136084D+01 -0.942651D-01
      3  -0.638241D+00 -0.395569D+01 -0.108072D+01  0.727122D+01  0.523314D+01
               291           292           293           294           295 
      1  -0.612118D+00  0.147489D+01 -0.846900D+01 -0.391539D+01 -0.804110D+00
      2  -0.403023D+00  0.298586D+01 -0.128708D+01 -0.448524D+01 -0.106154D+01
      3   0.140063D+01  0.236032D+00  0.329517D+02 -0.260091D+01  0.319008D+01
               296           297           298           299           300 
      1  -0.135929D+00 -0.213158D+01 -0.527652D+00  0.452237D+01 -0.313187D+01
      2  -0.286825D+01 -0.148203D+01 -0.262384D+01 -0.155427D+01  0.694612D+00
      3   0.179116D+01  0.388963D+01  0.113095D+02  0.593153D+01  0.367163D+01
               301           302           303           304           305 
      1  -0.129328D+01  0.609658D+01 -0.660204D+01 -0.134039D+01 -0.437430D+01
      2  -0.220545D+01 -0.415625D+00  0.636153D+00 -0.154272D+01  0.448783D+00
      3   0.115037D+02  0.561908D+01  0.323852D+01  0.227872D+01  0.145572D+01
               306           307           308           309           310 
      1  -0.276461D+00 -0.458145D+01  0.142475D+01  0.780790D+01  0.144914D+01
      2   0.836304D+00  0.810562D+01 -0.128722D+01 -0.193989D+01  0.469121D+00
      3   0.575273D+00 -0.170490D+02  0.359612D+01  0.643403D+01  0.304125D+01
               311           312           313           314           315 
      1  -0.388339D+01 -0.216206D+01  0.542009D+01  0.876416D-02 -0.822721D+01
      2   0.130882D+01  0.602335D+00 -0.593495D+01  0.196427D+01  0.281818D+01
      3  -0.239397D+01 -0.238663D+01  0.880296D+01 -0.451654D+01 -0.740554D+01
               316           317           318           319           320 
      1   0.436817D+01  0.125838D+01 -0.804123D+01  0.130840D+01  0.384698D+01
      2   0.713599D+01  0.122169D+01 -0.144778D+01 -0.540362D+00  0.819908D+00
      3   0.164352D+02  0.360612D+01 -0.636370D+01  0.281979D+01  0.183500D+01
               321           322           323           324           325 
      1  -0.197608D+01 -0.503311D+01 -0.120897D+00  0.821647D+01  0.100874D+01
      2  -0.488689D+00 -0.517978D+01 -0.198652D+01  0.245580D+01 -0.269510D+01
      3  -0.207154D+01 -0.783741D+01 -0.438539D+01  0.711299D+01 -0.110420D+02
               326           327           328           329           330 
      1   0.434043D+01  0.275913D+01 -0.160155D+01 -0.572131D+01 -0.665721D+01
      2   0.123205D+01  0.667435D+00  0.252712D+01 -0.331557D+00 -0.426938D+00
      3   0.595319D+01 -0.364970D+01  0.112444D+02 -0.610244D+01  0.361704D+01
               331           332           333           334           335 
      1   0.109074D+01 -0.429801D+01  0.602777D+00 -0.212138D+01 -0.262820D+01
      2  -0.178050D+01 -0.214927D+00  0.742364D+00  0.126481D+02  0.472457D+01
      3  -0.271708D+01  0.141475D+01 -0.690600D+00  0.202013D+01 -0.279707D+00
               336           337           338           339           340 
      1  -0.577305D+00 -0.115163D+01 -0.119981D+01  0.977949D+00 -0.170434D+01
      2  -0.748974D+01  0.652460D+01  0.205321D+01 -0.103953D+01 -0.123983D+02
      3  -0.278836D+01  0.272968D+01  0.492624D+00 -0.612467D+00 -0.332793D+01
               341           342           343           344           345 
      1   0.248722D+01  0.221396D+01  0.142247D+01  0.134598D+01  0.417093D+00
      2  -0.440774D+00  0.834068D+01 -0.165372D-01 -0.101193D+01 -0.121331D+01
      3   0.886234D+00  0.186052D+01 -0.118499D+01 -0.155110D+01  0.848786D-02
               346           347           348           349           350 
      1   0.165440D+01  0.890050D+01  0.544968D+01  0.679164D+00  0.758086D+01
      2  -0.278423D+01  0.354235D+01  0.457025D+01 -0.283040D+01  0.454598D+01
      3   0.150326D+01 -0.535245D+01 -0.528960D+01  0.466112D+00 -0.493702D+01
               351           352           353           354           355 
      1   0.495607D+01  0.144574D+01 -0.285821D+01  0.257049D+01 -0.221026D+01
      2   0.690672D+01  0.230540D+01 -0.215990D+01  0.297670D+01  0.125558D+01
      3  -0.505077D+01 -0.166774D+01 -0.581368D+01  0.200396D+01 -0.226391D+01
               356           357           358           359           360 
      1   0.455373D+01 -0.501960D+01  0.157504D+01 -0.302244D+01  0.191189D+01
      2  -0.204331D-01 -0.562135D+01  0.189293D+00 -0.494994D+01  0.118872D+01
      3   0.171255D+02 -0.129836D+01 -0.236713D+00 -0.421100D+01  0.418111D+01
               361           362           363           364           365 
      1  -0.505913D+00 -0.116804D+01 -0.274303D+01  0.950126D+00 -0.130431D+01
      2  -0.954628D+01 -0.543111D+01 -0.666171D+01 -0.463003D+00 -0.751004D+01
      3   0.117440D+02  0.481969D+01  0.533479D+01  0.448863D+01  0.738182D+01
               366           367           368           369           370 
      1  -0.290994D+01  0.114990D+01 -0.128680D+01 -0.807565D+01  0.536365D+00
      2  -0.595239D+01 -0.832819D+01 -0.114325D+02 -0.168964D+02 -0.663585D+01
      3   0.540584D+01  0.864055D+01  0.897363D+01  0.102456D+02  0.465514D+01
               371           372           373           374           375 
      1  -0.221542D+01  0.215875D+00 -0.573583D+00  0.241494D+01 -0.502346D-01
      2   0.486451D+01  0.110593D+02  0.489703D+01 -0.565881D+01 -0.594341D+01
      3  -0.724781D+01 -0.519661D+01 -0.432861D+01  0.912956D+01  0.606994D+01
               376           377           378           379           380 
      1  -0.702377D-01  0.252534D+01 -0.103136D+01 -0.291563D+01  0.333947D+01
      2   0.841466D+01 -0.409886D+01 -0.130856D+02 -0.114290D+02  0.583851D+01
      3  -0.460686D+01  0.548911D+01  0.376419D+01 -0.403593D+01  0.542558D+01
               381           382           383           384           385 
      1  -0.208797D+01  0.361089D+01 -0.619729D+01  0.221222D+01 -0.261968D+01
      2  -0.484525D+01  0.982623D+01 -0.925772D+01  0.115329D+02 -0.590024D+01
      3  -0.332353D+01  0.865837D+01 -0.126853D+02  0.615241D+01 -0.380229D+01
               386           387           388           389           390 
      1   0.498752D+01 -0.364892D+01  0.809495D+00 -0.500994D-02 -0.128958D+01
      2   0.789891D+01 -0.151527D+02 -0.822322D+01 -0.402799D+01  0.804641D+01
      3   0.644409D+01 -0.615637D+01 -0.155925D+02 -0.127959D+02  0.281649D+01
               391           392           393           394           395 
      1   0.125039D+01 -0.240663D+00 -0.169646D+01 -0.474806D+00  0.834676D+00
      2  -0.802159D+01 -0.223725D+01  0.455930D+01  0.805306D+01  0.243276D+01
      3  -0.136314D+02 -0.141597D+02  0.943647D+00  0.671301D+01  0.390263D+01
               396           397           398           399           400 
      1   0.103698D+01 -0.117832D+01  0.805801D+00 -0.130488D-01  0.867349D+00
      2  -0.588689D+01  0.791529D+01 -0.388405D+01  0.654185D+01 -0.833510D+01
      3  -0.180782D+01  0.599379D+01 -0.745668D+01  0.496612D+01 -0.103998D+02
               401           402           403           404           405 
      1  -0.125808D+01 -0.988604D+00 -0.345153D+00  0.233660D+01  0.187765D-01
      2   0.585055D+01 -0.115666D+02  0.734899D+01 -0.662728D+01  0.151841D+02
      3   0.155512D+02 -0.736923D+01  0.914362D+01 -0.921498D+01  0.750326D+01
               406           407           408           409           410 
      1   0.598837D+01 -0.301695D+01  0.115643D+01 -0.770895D+00  0.842740D+01
      2  -0.389368D+01  0.174359D+01 -0.135966D+01 -0.122695D+01 -0.889306D+01
      3  -0.671131D+01  0.285875D+01 -0.510669D+01  0.103411D+01 -0.216064D+02
               411           412           413           414           415 
      1  -0.612204D+01  0.836819D+00 -0.481573D+01  0.545834D+01 -0.207539D+01
      2   0.594341D+01  0.700388D+00  0.851424D+01 -0.872527D+01  0.450813D+01
      3   0.621126D+01 -0.886692D+01  0.102868D+02 -0.970615D+01 -0.136351D+01
               416           417           418           419           420 
      1  -0.736874D+00 -0.237457D+01  0.965963D-01  0.125183D+01 -0.177946D+01
      2   0.375711D+01  0.624478D+01  0.186512D+01  0.379151D+01  0.597851D+01
      3  -0.469275D+01 -0.308369D+01 -0.394331D+01 -0.856732D+01 -0.510425D+01
               421           422           423 
      1  -0.190165D+01  0.229069D+00 -0.566144D+01
      2   0.487513D+01  0.921166D+01  0.194632D+02
      3  -0.280618D+01 -0.790313D+01 -0.904510D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.315641D+02  0.837901D+01  0.974461D+01  0.150518D+02  0.157542D+02
      2   0.181777D+02 -0.605870D+01 -0.432657D+00 -0.141803D+02 -0.354977D+02
      3   0.133864D+02 -0.232031D+01 -0.931196D+01 -0.871523D+00  0.197435D+02
      4   0.124192D+01 -0.287199D+01  0.110229D+01 -0.754614D+01 -0.426095D+02
      5   0.616292D+01 -0.164884D+01  0.848737D+01  0.531369D+00  0.292095D+01
      6  -0.178175D+01  0.981562D-01  0.417714D+01  0.342673D+01  0.773534D+01
                 6             7             8             9            10 
      1   0.194998D+01  0.107761D+02  0.295516D+01  0.145951D+02  0.222137D+02
      2   0.508824D+01 -0.512827D+01 -0.135334D+01  0.374584D+01 -0.196544D+02
      3  -0.703822D+01 -0.564783D+01 -0.160182D+01 -0.183410D+02 -0.255930D+01
      4   0.567640D+01  0.849252D+01  0.280835D+01  0.429030D+01  0.282593D+02
      5   0.405092D+01  0.479866D+01  0.309372D+00  0.164546D+02 -0.149175D+01
      6   0.156036D+01  0.121219D+00  0.597817D+00  0.891711D+01 -0.363814D+01
                11            12            13            14            15 
      1   0.109832D+02 -0.372156D+01  0.468160D+02  0.728109D+01 -0.103289D+02
      2   0.960400D+01  0.167821D+01 -0.131298D+02 -0.117792D+02  0.379753D+01
      3  -0.205872D+02  0.204335D+01 -0.336862D+02  0.449814D+01  0.653136D+01
      4   0.135135D+02 -0.764751D+01  0.180590D+02  0.137878D+02 -0.798568D+00
      5  -0.462315D+01  0.904570D+01 -0.157842D+01 -0.245049D+01  0.218436D+01
      6   0.649383D+01 -0.130757D+01 -0.534279D+00 -0.256999D+01  0.571812D+01
                16            17            18            19            20 
      1  -0.217056D+02  0.411095D+01  0.831886D+01  0.632789D+02 -0.168458D+02
      2   0.468420D+01 -0.914241D+01 -0.303805D+01 -0.351843D+02  0.161548D+02
      3   0.170214D+02  0.503146D+01 -0.528081D+01 -0.280946D+02  0.690949D+00
      4  -0.244648D+01 -0.856405D+01  0.988970D+01 -0.275087D+02  0.106928D+02
      5   0.165567D+02  0.707539D+01 -0.903421D+01  0.404987D+02 -0.850988D+01
      6   0.623938D+01  0.230630D+01 -0.397089D+01 -0.982532D+01  0.564118D+01
                21            22            23            24            25 
      1   0.146085D+02 -0.490075D+02  0.553093D+01  0.106846D+02  0.248501D+02
      2  -0.177779D+02  0.159433D+02  0.864133D+01 -0.737642D+01 -0.648184D+01
      3   0.316948D+01  0.330642D+02 -0.141723D+02 -0.330815D+01 -0.183683D+02
      4  -0.744444D+01  0.543709D+01 -0.121273D+02  0.533073D+01  0.139825D+02
      5   0.135864D+02  0.551992D+01  0.733290D+01  0.918335D+00  0.143125D+01
      6  -0.494908D+01  0.661338D+01 -0.221773D+01 -0.173633D+01  0.822607D+00
                26            27            28            29            30 
      1   0.815102D+01 -0.350403D+01 -0.387198D+02  0.486720D+01 -0.204053D+02
      2  -0.782532D+01 -0.204797D+01  0.289251D+02 -0.919588D+01  0.157612D+02
      3  -0.325699D+00  0.555200D+01  0.979468D+01  0.432868D+01  0.464409D+01
      4  -0.763850D-01 -0.308945D+01  0.839924D+01  0.330121D+01  0.104769D+02
      5  -0.149577D+00  0.319655D+01 -0.407134D+02  0.104408D+02 -0.327831D+02
      6   0.947236D-01  0.884802D+01  0.992818D+01 -0.210212D+01  0.740753D+01
                31            32            33            34            35 
      1   0.234046D+01  0.927793D+01  0.271721D+01 -0.333640D+02  0.127911D+02
      2   0.540975D+01 -0.214199D+02 -0.135715D-01  0.266133D+02 -0.942383D+01
      3  -0.775021D+01  0.121419D+02 -0.270364D+01  0.675070D+01 -0.336731D+01
      4  -0.921559D+01  0.353519D+02 -0.385771D+01  0.158531D+02  0.493573D+01
      5   0.682239D+01 -0.629248D+01 -0.632027D+01 -0.541523D+02 -0.788108D+00
      6  -0.437611D+01  0.722726D+01  0.138859D+01  0.114426D+02 -0.428307D+00
                36            37            38            39            40 
      1  -0.348816D+02 -0.728745D+02  0.464270D+02  0.132743D+02  0.519417D+02
      2   0.258003D+02  0.324056D+02 -0.210076D+02 -0.353206D+01 -0.254560D+02
      3   0.908124D+01  0.404689D+02 -0.254194D+02 -0.974228D+01 -0.264857D+02
      4  -0.395172D-01  0.519861D+02 -0.119070D+02 -0.441300D+01 -0.167248D+02
      5  -0.231998D+02  0.143014D+02 -0.479694D+01  0.228550D+02 -0.250489D+01
      6   0.347762D+01 -0.779337D+01  0.195900D+01 -0.435261D+01  0.119566D+01
                41            42            43            44            45 
      1  -0.117960D+02  0.148685D+01  0.730141D+01  0.268335D+01  0.319923D+02
      2   0.796942D+01  0.807190D+00 -0.462090D+00  0.148390D+01 -0.155604D+02
      3   0.382655D+01 -0.229404D+01 -0.683932D+01 -0.416725D+01 -0.164319D+02
      4  -0.124055D+02  0.668289D+01 -0.107946D+01  0.650086D+01  0.152772D+02
      5   0.701104D+01  0.158988D+02  0.309161D+02  0.160748D+02  0.652127D+01
      6   0.350598D+00 -0.327523D+01 -0.265907D+01 -0.248477D+01 -0.501331D+01
                46            47            48            49            50 
      1   0.133975D+02 -0.299754D+02 -0.932857D+00 -0.450272D+02 -0.101335D+02
      2  -0.549995D+01  0.171368D+02 -0.534355D+01  0.249407D+02  0.978695D+01
      3  -0.789751D+01  0.128386D+02  0.627641D+01  0.200864D+02  0.346550D+00
      4  -0.330207D+02 -0.114872D+02  0.315512D+01 -0.174287D+02  0.137070D+02
      5   0.583284D+01  0.541444D+01 -0.389955D+02  0.458732D+01 -0.358683D+01
      6   0.576169D+01 -0.382186D-01 -0.997243D+01  0.125580D+01 -0.313205D+01
                51            52            53            54            55 
      1   0.355044D+00  0.813153D+01 -0.769745D+00 -0.515542D+02 -0.402473D+01
      2  -0.396182D+01 -0.126857D+02 -0.405314D+01  0.270289D+02 -0.941635D+01
      3   0.360677D+01  0.455419D+01  0.482288D+01  0.245253D+02  0.134411D+02
      4  -0.369938D+01  0.189939D+01 -0.479189D+01 -0.394971D+02  0.136834D+02
      5  -0.251567D+02 -0.670537D+02 -0.338050D+02  0.112948D+02  0.446377D+01
      6  -0.743034D+01 -0.186880D+02 -0.729823D+01  0.366962D+01 -0.298616D+01
                56            57            58            59            60 
      1   0.789843D+01 -0.209813D+02 -0.407040D+01 -0.148145D+01  0.405558D+01
      2  -0.869100D+01 -0.114787D+02 -0.282815D+01  0.778204D+01  0.204919D+01
      3   0.792570D+00  0.324600D+02  0.689854D+01 -0.630059D+01 -0.610477D+01
      4  -0.234041D+01 -0.276253D+00  0.498377D+01  0.378005D+01 -0.234071D+01
      5   0.467743D-01  0.246938D+02 -0.871899D+00 -0.107818D+01  0.719930D+01
      6   0.231294D+01  0.670186D+01 -0.494228D+00  0.377923D+01 -0.821983D+01
                61            62            63            64            65 
      1   0.327008D+01 -0.146236D+02 -0.421712D+01 -0.190671D+01 -0.604440D+01
      2  -0.207660D+02  0.843751D+01 -0.264768D+02  0.527773D+01 -0.332700D+01
      3   0.174960D+02  0.618605D+01  0.306940D+02 -0.337102D+01  0.937140D+01
      4  -0.111060D+02  0.388088D+01  0.574545D+00 -0.168366D+00  0.972671D+01
      5   0.262931D+02 -0.225334D+00  0.295907D+02  0.585512D+01 -0.278228D+01
      6  -0.427540D+01 -0.444118D+01  0.191196D+01 -0.142994D+01 -0.127622D+00
                66            67            68            69            70 
      1   0.514436D+01 -0.736864D+01  0.595989D+01 -0.242714D+02 -0.172907D+01
      2  -0.798570D+01  0.261850D+00 -0.161771D+02 -0.557066D+01 -0.500113D+01
      3   0.284134D+01  0.710679D+01  0.102172D+02  0.298421D+02  0.673020D+01
      4  -0.336257D+01  0.407094D+01  0.128508D+01  0.146691D+01 -0.392565D+01
      5   0.394769D+01  0.180263D+00  0.101507D+01  0.174677D+02  0.227359D+01
      6   0.131900D+02  0.379479D+01  0.513029D+01  0.151639D+02  0.366601D+01
                71            72            73            74            75 
      1  -0.209225D+02 -0.210632D+02 -0.206549D+01 -0.349697D+01 -0.474776D+01
      2   0.111139D+02 -0.145723D+02  0.117496D+02 -0.642057D+01  0.283141D+01
      3   0.980855D+01  0.356355D+02 -0.968408D+01  0.991754D+01  0.191634D+01
      4   0.858869D+01  0.815379D+01 -0.706721D+01 -0.199453D-01  0.158238D+02
      5   0.722789D+01  0.210027D+02  0.474212D+01  0.122908D+02 -0.107832D+01
      6   0.151015D+02  0.183268D+02  0.113556D+02  0.613256D+01  0.344029D+01
                76            77            78            79            80 
      1   0.124548D+02 -0.345895D+02 -0.938657D+01 -0.101234D+01  0.336206D+01
      2  -0.588401D+01  0.506091D+02 -0.103741D+01  0.885359D+00  0.183653D+01
      3  -0.657075D+01 -0.160197D+02  0.104240D+02  0.126978D+00 -0.519859D+01
      4   0.569912D+01  0.231808D+02  0.364395D+01  0.741196D+01  0.777193D+01
      5   0.194785D+01  0.529032D+01  0.482578D+01 -0.209448D+01  0.175339D+01
      6   0.152822D+01  0.227771D+02  0.972770D+01  0.623762D+01  0.892088D+01
                81            82            83            84            85 
      1  -0.859601D+01  0.854393D+01  0.166199D+02 -0.742064D+00  0.114984D+02
      2   0.972470D+01 -0.137977D+02 -0.384386D+02 -0.580021D+01 -0.230322D+02
      3  -0.112869D+01  0.525372D+01  0.218187D+02  0.654227D+01  0.115337D+02
      4  -0.254582D+01 -0.884909D+00 -0.217373D+02 -0.130550D+02 -0.140138D+02
      5   0.556999D+01  0.922297D+00 -0.780868D+01 -0.427258D+01 -0.348112D+01
      6   0.343479D+00 -0.163114D+02 -0.750913D+01  0.149284D+02 -0.267443D+01
                86            87            88            89            90 
      1   0.274073D+02  0.585019D+01 -0.209885D+01 -0.414909D+01  0.396810D+01
      2  -0.541015D+02 -0.108469D+02 -0.136474D+01  0.404978D+01 -0.410505D+01
      3   0.266942D+02  0.499673D+01  0.346360D+01  0.993031D-01  0.136947D+00
      4  -0.358794D+02 -0.172677D+01 -0.902572D+01 -0.143546D+01  0.966203D+01
      5  -0.221356D+01 -0.396057D+00 -0.394837D+01  0.194429D+01  0.306530D+01
      6  -0.225390D+02 -0.434821D+01  0.166086D+02 -0.102559D+02 -0.140890D+01
                91            92            93            94            95 
      1   0.819577D+01 -0.174304D+02  0.420461D+00 -0.118655D+02  0.293049D+02
      2  -0.125625D+02  0.381975D+02 -0.709056D+01  0.218743D+02 -0.539899D+02
      3   0.436675D+01 -0.207671D+02  0.667010D+01 -0.100087D+02  0.246850D+02
      4  -0.785358D+00 -0.197206D+02  0.129360D+02 -0.121635D+02  0.339257D+02
      5   0.163082D+01  0.762620D+01 -0.487100D+01  0.334755D+01 -0.275442D+01
      6   0.161612D+02 -0.820319D+01 -0.144127D+02 -0.376455D+01  0.237049D+02
                96            97            98            99           100 
      1  -0.661815D+01 -0.262799D+00  0.335416D+01  0.366877D+01 -0.700751D+01
      2   0.119872D+02 -0.334798D+01 -0.292923D+01 -0.390311D+01  0.128527D+02
      3  -0.536909D+01  0.361078D+01 -0.424932D+00  0.234338D+00 -0.584520D+01
      4  -0.285606D+01  0.844508D+01 -0.261385D+01 -0.958873D+01  0.114190D+02
      5   0.660483D+00 -0.433850D+01 -0.191555D+01  0.371530D+01  0.311940D+01
      6  -0.504272D+01 -0.160979D+02 -0.103510D+02  0.156013D+01 -0.108608D+02
               101           102           103           104           105 
      1   0.444781D+01 -0.368089D+01 -0.947214D+01 -0.359083D+02  0.916383D+01
      2   0.592312D+01  0.346930D+01  0.498897D+01  0.494957D+02  0.264506D+00
      3  -0.103709D+02  0.211592D+00  0.448317D+01 -0.135874D+02 -0.942834D+01
      4  -0.212368D+01 -0.145732D+02  0.365197D+01 -0.186494D+02  0.342466D+01
      5  -0.110752D+02 -0.177789D+00 -0.113040D+01  0.445245D+01 -0.337904D+01
      6   0.493213D+01 -0.361264D+01  0.463006D-01 -0.230698D+02  0.873262D+01
               106           107           108           109           110 
      1  -0.287898D+01 -0.149873D+01 -0.932864D+01  0.161975D+02 -0.117180D+02
      2   0.156234D+01 -0.266887D+01  0.761698D+01 -0.121112D+02 -0.113990D+02
      3   0.131663D+01  0.416760D+01  0.171167D+01 -0.408632D+01  0.231170D+02
      4  -0.609102D+01  0.712783D+01  0.213803D+01 -0.320155D+02  0.182934D+02
      5  -0.172762D+01 -0.174367D+01  0.480011D+01  0.332078D+01  0.403818D+01
      6  -0.627685D+01  0.926793D+01 -0.178624D+01  0.619296D+01  0.734015D+01
               111           112           113           114           115 
      1  -0.276903D+01 -0.447473D+02  0.121621D+02  0.696620D+01 -0.292545D+02
      2  -0.171215D+00  0.731254D+01 -0.127854D+02 -0.102486D+01  0.448070D+01
      3   0.294024D+01  0.374348D+02  0.623350D+00 -0.594134D+01  0.247738D+02
      4   0.763836D+01  0.241274D+02 -0.168605D+02 -0.182002D+01  0.843105D+01
      5   0.493812D+01 -0.275373D+01 -0.257804D+01 -0.261286D+00  0.139010D+02
      6   0.186844D+01 -0.102045D+01  0.245663D+01  0.567234D+01 -0.255641D+01
               116           117           118           119           120 
      1  -0.319412D+01  0.614983D+01  0.651166D+02  0.153118D+02  0.119052D+02
      2   0.101073D+02  0.871803D+00 -0.373995D+02 -0.137908D+02 -0.170380D+02
      3  -0.691317D+01 -0.702164D+01 -0.277171D+02 -0.152093D+01  0.513284D+01
      4  -0.107676D+02 -0.106966D+02  0.257438D+02  0.115757D+02  0.557664D+01
      5  -0.656702D+01 -0.492578D+01  0.359637D+02  0.648070D+01  0.168003D+02
      6   0.430374D+01  0.178372D+01  0.644383D+01  0.672831D+01  0.537363D+01
               121           122           123           124           125 
      1   0.405528D+02  0.683766D+01 -0.105498D+02  0.245842D+02 -0.915608D+01
      2  -0.843606D+01  0.605806D+01  0.600780D+01 -0.563239D+01  0.737166D+01
      3  -0.321167D+02 -0.128957D+02  0.454198D+01 -0.189518D+02  0.178443D+01
      4   0.506481D+01  0.121430D+02  0.527306D+01 -0.156938D+02  0.281869D+01
      5  -0.701156D+01  0.618810D+01 -0.236247D+00  0.532565D+01  0.205824D+01
      6   0.760723D+01  0.484185D+00 -0.462488D+00 -0.246021D+01 -0.201071D+00
               126           127           128           129           130 
      1  -0.350374D+01 -0.325497D+01 -0.985408D+01 -0.245262D+02  0.230127D+01
      2  -0.324653D+01 -0.570364D+01  0.998677D+01 -0.111553D+02  0.439537D+01
      3   0.675027D+01  0.895861D+01 -0.132690D+00  0.356816D+02 -0.669664D+01
      4   0.519746D+01 -0.190181D+02 -0.145818D+01 -0.479922D+00  0.406512D+01
      5   0.632260D+01  0.209928D+01 -0.829432D+00  0.203272D+02  0.123989D+01
      6  -0.496453D+01  0.182942D+01  0.127673D+01 -0.716173D+01 -0.123990D+00
               131           132           133           134           135 
      1  -0.185098D+01 -0.265642D+01  0.698244D+01  0.147922D+02 -0.628875D+01
      2   0.773688D+01 -0.166203D+01 -0.243232D+02 -0.838010D+01 -0.280823D+02
      3  -0.588590D+01  0.431844D+01  0.173407D+02 -0.641205D+01  0.343710D+02
      4  -0.256493D+01 -0.174266D+01  0.976907D+01  0.274826D+01 -0.149129D+01
      5  -0.734797D+00 -0.823209D+01  0.260258D+02 -0.506203D+00  0.325113D+02
      6  -0.430976D+01 -0.833415D+01  0.361320D+01 -0.390152D+01 -0.289113D+01
               136           137           138           139           140 
      1  -0.282373D+01  0.564332D+01  0.734530D+01  0.591361D+01  0.765193D+01
      2   0.553974D+01  0.137466D+01 -0.779114D+01 -0.159073D+01 -0.161363D+02
      3  -0.271601D+01 -0.701797D+01  0.445837D+00 -0.432289D+01  0.848436D+01
      4   0.168555D+01  0.986121D+01  0.359450D+01  0.687612D+01 -0.260047D+01
      5   0.576635D+01  0.269649D+01  0.252155D+01 -0.208444D+00  0.119982D+01
      6   0.129515D+01 -0.774310D+00 -0.109663D+02  0.434235D+01 -0.403657D+01
               141           142           143           144           145 
      1   0.253024D+02 -0.104558D+01  0.212564D+02 -0.211613D+02 -0.171207D+02
      2   0.687915D+01 -0.499191D+01 -0.111314D+02 -0.134975D+02 -0.581224D-01
      3  -0.321816D+02  0.603749D+01 -0.101250D+02  0.346588D+02  0.171788D+02
      4   0.904486D+00  0.551066D+01  0.696918D+01 -0.589655D+01  0.211237D+02
      5  -0.148231D+02  0.715547D-01 -0.592490D+01  0.187960D+02  0.690085D+00
      6   0.159402D+02 -0.276871D+01  0.149079D+02 -0.175282D+02 -0.391012D+00
               146           147           148           149           150 
      1   0.380465D+01  0.101408D+02  0.104362D+02 -0.171933D+02  0.693212D+01
      2   0.159314D+02 -0.542740D+01  0.176338D+02 -0.127830D+02 -0.361776D+01
      3  -0.197360D+02 -0.471344D+01 -0.280700D+02  0.299763D+02 -0.331436D+01
      4  -0.282595D+02  0.614206D+01 -0.510717D+02  0.455414D+02 -0.125168D+01
      5   0.100339D+02  0.433235D+01  0.110777D+02 -0.266383D+01  0.418821D+01
      6  -0.611919D+01 -0.767436D+01 -0.548518D+00  0.961881D+00 -0.636029D+01
               151           152           153           154           155 
      1   0.140244D+02  0.180279D+02  0.143134D+02 -0.527492D+01  0.203913D+02
      2  -0.127770D+02 -0.162646D+01 -0.781848D+01  0.468630D+01 -0.188431D+02
      3  -0.124741D+01 -0.164015D+02 -0.649493D+01  0.588625D+00 -0.154827D+01
      4   0.161791D+02 -0.116835D+02  0.693166D+01  0.268341D+02 -0.231768D+01
      5   0.244101D+01  0.881752D+01  0.411428D+01  0.288727D+02 -0.312546D+02
      6  -0.365884D+01 -0.806646D+01 -0.870886D+01 -0.101643D+02  0.289925D+01
               156           157           158           159           160 
      1   0.190338D+02  0.270060D+02  0.501537D+01 -0.380049D+02  0.175902D+02
      2  -0.963011D+01 -0.223209D+02  0.260347D+01  0.171142D+02 -0.812858D+01
      3  -0.940374D+01 -0.468507D+01 -0.761885D+01  0.208907D+02 -0.946162D+01
      4  -0.309369D+02 -0.326743D+01 -0.246221D+01  0.175735D+02 -0.380425D+02
      5  -0.199384D+02 -0.432042D+02  0.149633D+02 -0.135887D+00 -0.201168D+02
      6   0.887636D+01  0.598463D+01 -0.118331D+01 -0.518802D+01  0.102705D+02
               161           162           163           164           165 
      1  -0.338973D+02 -0.124392D+02 -0.536543D+02 -0.296624D+02 -0.438542D+01
      2   0.134330D+02  0.986858D+01  0.230574D+02  0.140262D+02  0.422930D+01
      3   0.204642D+02  0.257063D+01  0.305969D+02  0.156362D+02  0.156121D+00
      4   0.169764D+02 -0.124338D+01 -0.332564D+02 -0.207884D+02  0.293126D+02
      5  -0.149836D+01  0.190595D+02 -0.383556D+01  0.287900D+02 -0.586188D-02
      6  -0.412303D+01 -0.102296D+01  0.769100D+01  0.451595D+00  0.280259D+01
               166           167           168           169           170 
      1  -0.455562D+02 -0.300655D+02  0.404698D+02 -0.315448D+01  0.401658D+02
      2   0.206454D+02  0.148197D+02 -0.203260D+02  0.236291D+01 -0.215570D+02
      3   0.249108D+02  0.152459D+02 -0.201438D+02  0.791570D+00 -0.186088D+02
      4  -0.361005D+02  0.410691D+01 -0.100162D+02  0.448011D+02 -0.805061D+01
      5   0.438708D+02 -0.101946D+02  0.202046D+02 -0.111678D+02  0.188423D+02
      6  -0.290400D+01  0.453094D+01 -0.294647D+01  0.398050D+01 -0.304157D+01
               171           172           173           174           175 
      1  -0.688584D+01 -0.165576D+02  0.266369D+01  0.286690D+01 -0.369407D+01
      2   0.309022D+01  0.115543D+02  0.196445D+01 -0.134434D+01 -0.130250D+01
      3   0.379562D+01  0.500328D+01 -0.462814D+01 -0.152256D+01  0.499657D+01
      4   0.180381D+02 -0.243770D+01 -0.502664D+01 -0.184965D+02 -0.195958D+02
      5  -0.814482D+01 -0.969574D+01 -0.190022D+02 -0.201646D+02 -0.257271D+02
      6   0.474177D+01 -0.571725D+01 -0.656807D+01 -0.656459D+01 -0.819961D+01
               176           177           178           179           180 
      1  -0.355057D+01 -0.192477D+02  0.101929D+02 -0.155240D+02 -0.882097D+01
      2  -0.431677D+01  0.164637D+02  0.305769D+01  0.181963D+02  0.795670D+01
      3   0.786735D+01  0.278401D+01 -0.132506D+02 -0.267228D+01  0.864271D+00
      4  -0.238327D+02 -0.830278D+00 -0.199850D+02  0.196175D+01 -0.263191D+02
      5  -0.109875D+01 -0.178504D+02 -0.297021D+02 -0.276766D+02 -0.304025D+02
      6  -0.270290D+01 -0.655363D+01 -0.137836D+02 -0.930245D+01 -0.136069D+02
               181           182           183           184           185 
      1  -0.593287D+02  0.925224D+00 -0.116295D+02  0.189744D+01  0.120219D+02
      2   0.418085D+02 -0.869694D+00  0.256063D+02 -0.939219D+00 -0.171985D+02
      3   0.175202D+02 -0.555302D-01 -0.139768D+02 -0.958221D+00  0.517664D+01
      4   0.989521D+00 -0.141187D+02  0.632641D+00 -0.110317D+02 -0.194843D+01
      5  -0.353788D+02  0.294572D+00 -0.342974D+02 -0.697215D+00 -0.846193D+01
      6   0.759310D-02 -0.382423D+01 -0.847782D+00 -0.114936D+02  0.290098D+00
               186           187           188           189           190 
      1  -0.222310D-01 -0.152379D+02  0.118234D+00  0.157375D+02  0.306243D+02
      2  -0.438606D+00  0.292281D+02  0.339165D+00  0.207825D+02 -0.127701D+02
      3   0.460837D+00 -0.139902D+02 -0.457399D+00 -0.365201D+02 -0.178542D+02
      4  -0.573290D+01  0.141185D+01 -0.124179D+02 -0.553776D+00 -0.233715D+02
      5  -0.756413D+00 -0.224914D+02  0.303959D+00 -0.314130D+02 -0.129238D+02
      6  -0.175693D+02 -0.537343D+00 -0.689944D+01 -0.327172D-01  0.992448D+01
               191           192           193           194           195 
      1  -0.148613D+01 -0.144922D+01 -0.225490D+01 -0.476807D+02 -0.173475D+02
      2  -0.477010D+01  0.348760D+01 -0.873104D+01  0.763804D+02  0.146887D+02
      3   0.625622D+01 -0.203838D+01  0.109859D+02 -0.286997D+02  0.265876D+01
      4   0.261320D+02  0.102832D+02  0.255053D+02 -0.275957D+02 -0.989042D+01
      5   0.993662D+01  0.198712D+02  0.333156D+01 -0.109855D+02 -0.668087D+01
      6  -0.407514D+01 -0.731149D+01 -0.761796D+01  0.325452D+02  0.311440D+02
               196           197           198           199           200 
      1  -0.500220D+00 -0.180865D+02 -0.251422D+02  0.335210D+02 -0.289997D-01
      2   0.590652D+01  0.752880D+01 -0.351459D+01 -0.168437D+02  0.636302D+01
      3  -0.540630D+01  0.105577D+02  0.286568D+02 -0.166773D+02 -0.633402D+01
      4   0.713771D+01 -0.599532D+01 -0.123653D+02  0.216573D+02  0.239289D+02
      5   0.203979D+02 -0.117935D+02 -0.181292D+02 -0.156917D+02 -0.921132D+01
      6  -0.115861D+02  0.330506D+02  0.351198D+02 -0.938965D+01 -0.494632D+01
               201           202           203           204           205 
      1  -0.143554D+01 -0.135050D+01 -0.404062D+02  0.179401D+02  0.508360D+00
      2   0.490220D+01  0.101907D+02  0.626564D+02 -0.145530D+02  0.700620D+01
      3  -0.346666D+01 -0.884024D+01 -0.222502D+02 -0.338708D+01 -0.751456D+01
      4  -0.101752D+02  0.249850D+02  0.281369D+02 -0.119465D+02 -0.711095D+01
      5   0.234300D+02 -0.362543D+01 -0.131306D+02  0.771481D+01  0.237920D+02
      6   0.796995D+01 -0.935995D+01 -0.336097D+02  0.310384D+02  0.126530D+02
               206           207           208           209           210 
      1   0.198213D+02 -0.266889D+02 -0.708238D+01  0.639060D+01  0.184424D+02
      2  -0.863681D+01 -0.956973D+01 -0.737949D+01  0.961753D+00  0.101441D+02
      3  -0.111845D+02  0.362587D+02  0.144619D+02 -0.735236D+01 -0.285865D+02
      4  -0.766363D+01  0.134551D+02 -0.365972D+01  0.152220D+01  0.299836D+01
      5   0.124621D+02 -0.237401D+02 -0.107780D+02  0.291202D+01  0.104051D+02
      6   0.312848D+02 -0.367451D+02  0.807742D+01 -0.745449D+01 -0.136086D+02
               211           212           213           214           215 
      1   0.275024D+01 -0.348840D+01 -0.119580D+01  0.938862D+01 -0.264698D+01
      2  -0.882206D+00  0.469078D+00  0.241692D+01  0.458930D+01 -0.568303D+00
      3  -0.186804D+01  0.301932D+01 -0.122113D+01 -0.139779D+02  0.321528D+01
      4   0.126338D+01 -0.195686D+01 -0.121269D+01  0.158255D+01 -0.191293D+01
      5   0.261632D+01 -0.242208D+01 -0.337366D+01  0.843938D+01 -0.243077D+01
      6  -0.394191D+01  0.447217D+01  0.516909D+01 -0.508639D+01  0.524476D+01
               216           217           218           219           220 
      1  -0.170800D+02 -0.403685D-01 -0.162923D+01  0.433481D+01  0.106952D+01
      2  -0.113306D+02  0.318607D-01 -0.793691D+00  0.320489D+01  0.321430D+01
      3   0.284106D+02  0.850783D-02  0.242292D+01 -0.753970D+01 -0.428382D+01
      4  -0.238886D+01 -0.219624D+01  0.181211D+01 -0.167129D+01  0.515755D+01
      5  -0.109162D+02  0.101045D+01 -0.260152D+01  0.145776D+01 -0.823808D+01
      6   0.810535D+01 -0.273553D+01  0.109007D+01  0.452444D+00  0.578163D+01
               221           222           223           224           225 
      1  -0.152779D+02  0.185718D+02  0.483453D+00  0.117917D+02 -0.205995D+02
      2   0.814766D+00  0.593510D+01 -0.877006D+00  0.226488D+01 -0.693250D+01
      3   0.144631D+02 -0.245069D+02  0.393553D+00 -0.140566D+02  0.275320D+02
      4  -0.102677D+02  0.103192D+02 -0.273968D+01  0.450048D+01 -0.601297D+01
      5   0.117928D+02 -0.166341D+02  0.373485D+01 -0.731552D+01  0.111839D+02
      6  -0.218671D+02  0.242907D+02 -0.230423D+01  0.156309D+02 -0.203674D+02
               226           227           228           229           230 
      1  -0.222104D+01  0.358440D+00 -0.692149D+01 -0.103628D+02 -0.531612D+01
      2  -0.133655D+01 -0.624012D+00  0.144534D+01  0.739015D+01  0.560225D+01
      3   0.355759D+01  0.265571D+00  0.547615D+01  0.297268D+01 -0.286128D+00
      4  -0.412619D+01 -0.133033D+01 -0.291409D+00 -0.640831D+00  0.469830D+01
      5  -0.151576D+01  0.181690D+01 -0.117356D+01  0.121902D+01 -0.300519D+01
      6  -0.110808D+00  0.115559D+01 -0.307520D+01 -0.350167D+00 -0.264714D+01
               231           232           233           234           235 
      1   0.932289D+00 -0.197964D+02  0.121863D+01 -0.144206D+02  0.148047D+01
      2  -0.464756D+01  0.100890D+02 -0.932769D+00 -0.993708D+01  0.504230D+01
      3   0.371527D+01  0.970737D+01 -0.285856D+00  0.243577D+02 -0.652278D+01
      4  -0.389201D+01 -0.984351D+01 -0.658426D+01  0.317998D+01  0.861063D+01
      5  -0.311995D+01  0.994666D+01  0.523653D+01 -0.271619D+02 -0.366579D+00
      6   0.167579D+01  0.147060D+01  0.658036D+01 -0.149196D+02  0.113687D+00
               236           237           238           239           240 
      1   0.427970D+01  0.659576D+00  0.102898D+02 -0.243645D+02  0.100203D+01
      2   0.655318D+00 -0.779414D+00  0.413245D+01  0.516700D+02 -0.447120D+01
      3  -0.493502D+01  0.119839D+00 -0.144222D+02 -0.273055D+02  0.346916D+01
      4   0.121838D+02 -0.544569D+00  0.231643D+02  0.569506D+02 -0.849638D+01
      5  -0.800151D+00 -0.981966D-01 -0.600786D+01 -0.490555D+01  0.548601D+01
      6  -0.119060D+01 -0.616349D-01 -0.431021D+01 -0.121162D+02  0.752990D+01
               241           242           243           244           245 
      1   0.132866D+01  0.174027D+00 -0.520773D+01  0.545640D+02  0.178145D+02
      2  -0.589747D+00  0.177354D+01  0.352769D+01 -0.320036D+02 -0.888909D+01
      3  -0.738913D+00 -0.194756D+01  0.168004D+01 -0.225604D+02 -0.892538D+01
      4   0.363744D+00  0.725256D+00  0.532661D+01  0.298510D+02  0.177996D+02
      5   0.149957D+01  0.575924D+01 -0.226616D+01 -0.410497D+02 -0.123126D+02
      6   0.134942D+01  0.724009D+01 -0.218121D+01 -0.944096D+01 -0.480507D+01
               246           247           248           249           250 
      1  -0.270752D+02  0.185566D+02  0.105381D+02 -0.583591D+01 -0.452591D+02
      2   0.183925D+02 -0.788524D+01 -0.444433D+01  0.271461D+01  0.320790D+02
      3   0.868269D+01 -0.106714D+02 -0.609377D+01  0.312129D+01  0.131801D+02
      4  -0.144186D+02  0.238285D+02  0.152462D+02 -0.152665D+02 -0.261084D+02
      5   0.321427D+02 -0.141601D+02 -0.146676D+02  0.147352D+02  0.557245D+02
      6   0.741130D+01 -0.740096D+01 -0.665583D+01  0.886717D+01  0.139656D+02
               251           252           253           254           255 
      1  -0.103608D+02  0.296548D+02  0.440643D+02  0.173150D+02  0.169659D+02
      2   0.666409D+01 -0.269927D+02 -0.200582D+02 -0.658495D+01 -0.769783D+01
      3   0.369673D+01 -0.266209D+01 -0.240061D+02 -0.107301D+02 -0.926812D+01
      4  -0.206149D+02  0.260448D+02  0.265800D+02  0.173579D+02  0.904903D+01
      5   0.228642D+02 -0.520563D+02  0.194737D+02  0.643264D+01  0.185030D+02
      6   0.101571D+02 -0.143165D+02  0.457704D+01  0.203130D+01  0.454002D+01
               256           257           258           259           260 
      1   0.229639D+02  0.118434D+02  0.444252D+01  0.424679D+02  0.122722D+02
      2  -0.773719D+01 -0.100477D+01  0.781026D+00 -0.189436D+02 -0.239891D+01
      3  -0.152267D+02 -0.108386D+02 -0.522355D+01 -0.235243D+02 -0.987332D+01
      4   0.242395D+02  0.186635D+02  0.123333D+02  0.245895D+02  0.232574D+02
      5   0.743459D+01  0.110686D+02  0.115071D+02  0.328749D+02  0.179424D+02
      6   0.372107D+01  0.487334D+01  0.591008D+01  0.964180D+01  0.626475D+01
               261           262           263           264           265 
      1   0.236032D+02 -0.163051D+02 -0.113442D+02 -0.941157D+01 -0.160719D+02
      2  -0.118858D+02  0.889002D+01  0.482044D+01  0.283461D+01  0.845421D+01
      3  -0.117174D+02  0.741511D+01  0.652372D+01  0.657696D+01  0.761767D+01
      4   0.211634D+02 -0.748088D+01 -0.283821D+01 -0.265273D+00  0.442812D+01
      5   0.308886D+02 -0.505096D+01 -0.551895D+00 -0.944599D+01  0.257323D+01
      6   0.888470D+01  0.402325D+01  0.114233D+01  0.296450D+01  0.144270D+01
               266           267           268           269           270 
      1  -0.375445D+01 -0.209973D+01 -0.160293D+02 -0.664389D+01 -0.143799D+02
      2   0.226747D+01  0.105429D+01  0.730168D+01  0.167160D+01 -0.242253D+01
      3   0.148698D+01  0.104544D+01  0.872758D+01  0.497228D+01  0.168024D+02
      4  -0.604924D+01 -0.685181D+01  0.120294D+01 -0.133027D+02 -0.109278D+02
      5  -0.678416D+01 -0.955898D+01  0.180827D+01 -0.120126D+02 -0.287665D+02
      6   0.437087D+01  0.660875D+01  0.577691D+00  0.762681D+01  0.104006D+02
               271           272           273           274           275 
      1   0.138182D+03 -0.401995D+02 -0.152787D+02 -0.392690D+02  0.249856D+02
      2  -0.669731D+02  0.170310D+02  0.853426D+01  0.147439D+02 -0.789808D+01
      3  -0.712087D+02  0.231685D+02  0.674440D+01  0.245251D+02 -0.170875D+02
      4  -0.554086D+02  0.320207D+02  0.581841D+01  0.370673D+02 -0.228528D+02
      5  -0.223880D+02  0.612305D+01  0.133816D+02  0.748266D+01 -0.455952D+01
      6   0.710880D+01 -0.398621D+01 -0.296792D+01 -0.432677D+01  0.274099D+01
               276           277           278           279           280 
      1   0.424515D+01 -0.455673D+01  0.955814D+00  0.106732D+02  0.632547D+02
      2  -0.217570D+01  0.328910D+01 -0.139262D+01 -0.635032D+01 -0.409211D+02
      3  -0.206945D+01  0.126764D+01  0.436809D+00 -0.432291D+01 -0.223337D+02
      4  -0.426945D+01  0.251870D+01 -0.152258D+01 -0.807065D+01 -0.171083D+02
      5  -0.687926D+01  0.162142D+02 -0.819900D+01 -0.440382D+01  0.491206D+02
      6   0.302438D+01 -0.350072D+01  0.285732D+01  0.181926D+01 -0.888309D+01
               281           282           283           284           285 
      1  -0.719790D+01  0.261342D+02  0.627342D+01  0.429407D+01  0.897476D-01
      2   0.410104D+01 -0.198079D+02 -0.652827D+01 -0.678415D+00 -0.269248D+01
      3   0.309685D+01 -0.632630D+01  0.254844D+00 -0.361565D+01  0.260273D+01
      4   0.104593D+02 -0.102125D+02  0.117697D+02 -0.724884D+01  0.721981D+01
      5  -0.954800D+01  0.380108D+02  0.388251D+00  0.835043D+01  0.306648D+01
      6   0.435844D+01 -0.779792D+01  0.404690D+01 -0.207076D+01  0.392749D+01
               286           287           288           289           290 
      1   0.439548D+02 -0.964293D+01  0.229339D+02 -0.231495D+01 -0.882507D+01
      2  -0.338632D+02  0.621946D+01 -0.266722D+02  0.281807D+01  0.624249D+01
      3  -0.100916D+02  0.342347D+01  0.373824D+01 -0.503123D+00  0.258258D+01
      4  -0.203916D+02  0.108878D+02 -0.121887D+02 -0.565549D+01  0.621565D+00
      5   0.549993D+02 -0.122398D+02  0.517866D+02  0.276715D+01  0.232412D+00
      6  -0.127513D+02  0.731467D+01 -0.113853D+02  0.369593D+00 -0.284639D+01
               291           292           293           294           295 
      1   0.297628D+01 -0.154578D+02 -0.147396D+02  0.207893D+01  0.503992D+00
      2  -0.190202D+01  0.684481D+00  0.344143D+02 -0.288933D+01 -0.201909D+01
      3  -0.107426D+01  0.147733D+02 -0.196747D+02  0.810406D+00  0.151510D+01
      4   0.511471D+00  0.205397D+02 -0.528325D+02  0.699387D+01 -0.207992D+01
      5   0.309473D+01 -0.437477D+01  0.941973D+01 -0.813805D+01  0.994903D+01
      6   0.264773D+00  0.368196D+01 -0.119441D+02  0.697944D+01 -0.178741D+01
               296           297           298           299           300 
      1  -0.103495D+00  0.274287D+01 -0.459215D+01 -0.219785D+02 -0.441637D+01
      2   0.150173D+01 -0.759891D+00  0.167920D+02  0.456505D+02  0.667416D+01
      3  -0.139824D+01 -0.198298D+01 -0.121998D+02 -0.236720D+02 -0.225779D+01
      4  -0.134509D+01 -0.491257D+01  0.216488D+02  0.324292D+02  0.757564D+01
      5  -0.522536D+01  0.258832D+01  0.464520D+01  0.530891D+01  0.474418D+01
      6   0.481607D+01 -0.213649D+01  0.924232D+01  0.152560D+02  0.657374D+01
               301           302           303           304           305 
      1  -0.106430D+02 -0.442834D+02 -0.796838D+01 -0.135479D+01 -0.410993D+01
      2   0.230942D+02  0.834154D+02  0.127291D+02  0.202982D+01  0.386218D+01
      3  -0.124512D+02 -0.391321D+02 -0.476071D+01 -0.675031D+00  0.247751D+00
      4   0.201470D+02  0.368117D+02  0.614719D+01  0.395966D+01  0.438409D+01
      5   0.331979D+01  0.535771D+01  0.241751D+01  0.411544D+01  0.349906D+01
      6   0.749261D+01  0.246154D+02  0.123784D+02  0.369735D+01  0.157435D+02
               306           307           308           309           310 
      1  -0.681613D+01 -0.338938D+00  0.850603D+01  0.528771D+01  0.282887D+01
      2   0.905708D+01  0.251876D+01 -0.953117D+01 -0.347692D+01 -0.329753D+01
      3  -0.224094D+01 -0.217982D+01  0.102514D+01 -0.181079D+01  0.468663D+00
      4   0.500789D+01 -0.147955D+02  0.109762D+02  0.904745D+01  0.665556D+01
      5   0.261229D+01 -0.766486D+01  0.469441D+01  0.563430D+01  0.167120D+01
      6   0.642039D+01  0.130057D+02 -0.110960D+02 -0.158022D+02 -0.459744D+01
               311           312           313           314           315 
      1  -0.800893D+01 -0.567025D+01  0.423436D+01 -0.115630D+02 -0.106355D+02
      2   0.121140D+02  0.786929D+01 -0.163992D+01  0.120126D+02  0.313136D+01
      3  -0.410510D+01 -0.219904D+01 -0.259445D+01 -0.449573D+00  0.750418D+01
      4  -0.456506D+01 -0.293251D+01  0.951733D+01 -0.473704D+01 -0.824737D+01
      5  -0.225447D+01 -0.192965D+01  0.607742D+01 -0.332144D+01 -0.580877D+01
      6   0.115164D+02  0.916660D+01 -0.119517D+02  0.161856D+02  0.211784D+02
               316           317           318           319           320 
      1   0.272584D+00 -0.786725D+01  0.523712D+01 -0.261224D+01 -0.717493D+01
      2   0.178635D+01  0.857877D+01 -0.285316D+01  0.292922D+01  0.108003D+02
      3  -0.205893D+01 -0.711517D+00 -0.238396D+01 -0.316982D+00 -0.362537D+01
      4   0.151624D+02  0.107613D+02 -0.958055D+01  0.598954D+01  0.430485D+01
      5  -0.833771D+01 -0.503388D+01  0.646260D+01 -0.159767D+01 -0.229564D+01
      6  -0.132140D+02 -0.110205D+02  0.163433D+02 -0.430253D+01 -0.106761D+02
               321           322           323           324           325 
      1   0.523309D+01  0.435189D+01  0.108021D+02 -0.103237D+02 -0.479646D+01
      2  -0.739554D+01 -0.160549D+01 -0.109397D+02  0.237532D+01  0.157270D+02
      3   0.216245D+01 -0.274639D+01  0.137622D+00  0.794834D+01 -0.109305D+02
      4  -0.285106D+01 -0.942278D+01 -0.509232D+01  0.856915D+01 -0.201053D+02
      5   0.188635D+01  0.648954D+01  0.370461D+01 -0.668657D+01  0.469337D+01
      6   0.855478D+01  0.120082D+02  0.157553D+02 -0.211272D+02 -0.935263D+01
               326           327           328           329           330 
      1   0.227278D+02 -0.488754D+01  0.104467D+02 -0.455005D+02  0.870516D+01
      2  -0.451568D+02  0.719343D+01 -0.216266D+02  0.834255D+02 -0.136593D+02
      3   0.224290D+02 -0.230589D+01  0.111799D+02 -0.379250D+02  0.495410D+01
      4   0.309010D+02 -0.781994D+01  0.187913D+02 -0.343865D+02  0.634907D+01
      5  -0.551201D+01  0.479969D+01 -0.348658D+01  0.542348D+01 -0.239429D+01
      6   0.160319D+02 -0.696733D+01  0.765619D+01 -0.262001D+02  0.130079D+02
               331           332           333           334           335 
      1  -0.167295D+01  0.525269D+01 -0.725639D+01 -0.659027D+01 -0.569391D+01
      2   0.243872D+01 -0.526706D+01  0.924465D+01 -0.776231D+01 -0.653846D+00
      3  -0.765767D+00  0.143740D-01 -0.198827D+01  0.143526D+02  0.634775D+01
      4  -0.407288D+01  0.490080D+01 -0.486183D+01  0.416775D+01  0.189672D+01
      5   0.406547D+01 -0.344304D+01  0.262193D+01 -0.125719D+02 -0.313441D+01
      6  -0.369001D+01  0.162227D+02 -0.721441D+01 -0.790812D+01 -0.685277D+01
               336           337           338           339           340 
      1   0.172401D+02 -0.217380D+01 -0.276061D+01  0.382502D+00  0.872847D+01
      2   0.104514D+02  0.105442D+01  0.130205D+00 -0.273465D+01  0.511197D+01
      3  -0.276915D+02  0.111938D+01  0.263041D+01  0.235214D+01 -0.138404D+02
      4  -0.317336D+01  0.175800D+01  0.195816D+01 -0.135153D+01 -0.191911D+01
      5   0.118740D+02 -0.227851D+01 -0.262679D+01  0.280668D+01  0.915019D+01
      6   0.123583D+02 -0.385710D+01 -0.388077D+01  0.456739D+01  0.476734D+01
               341           342           343           344           345 
      1   0.182408D+01 -0.150655D+02 -0.715337D+00  0.173389D+01  0.451962D+01
      2   0.539835D+00 -0.106790D+02  0.241724D-01  0.968195D+00  0.324221D+01
      3  -0.236392D+01  0.257445D+02  0.691165D+00 -0.270209D+01 -0.776183D+01
      4  -0.188981D+01  0.249632D+01  0.244212D+01  0.181491D+01  0.199330D+01
      5   0.244764D+01 -0.115830D+02  0.128536D+01  0.305593D+01  0.195376D+01
      6   0.469137D+01 -0.654430D+01  0.335691D+01  0.102952D+01 -0.545440D+00
               346           347           348           349           350 
      1  -0.543826D+00 -0.159155D+02 -0.193827D+02  0.582554D+00 -0.121176D+02
      2  -0.328134D+01  0.108232D+01 -0.583712D+01 -0.647720D+00 -0.174979D+01
      3   0.382516D+01  0.148332D+02  0.252198D+02  0.651660D-01  0.138674D+02
      4   0.450236D+01  0.968989D+01  0.959913D+01  0.300275D+01  0.395167D+01
      5   0.780623D+01  0.108035D+02  0.157700D+02  0.346944D+01  0.691224D+01
      6   0.509063D+01  0.219548D+02  0.243908D+02  0.232613D+01  0.158728D+02
               351           352           353           354           355 
      1  -0.205840D+02  0.263075D+02 -0.114551D+02 -0.424774D+00 -0.170351D+02
      2  -0.604915D+01 -0.604556D+00 -0.858448D+01  0.152337D+01 -0.123854D+02
      3   0.266331D+02 -0.257029D+02  0.200396D+02 -0.109859D+01  0.294205D+02
      4   0.564572D+01 -0.347114D+02  0.342060D+02 -0.326021D+01  0.487786D+02
      5   0.947920D+01  0.878789D+00 -0.436847D+01  0.503576D+01  0.404701D+00
      6   0.203410D+02 -0.213265D+01  0.764203D+00 -0.134249D+01 -0.427950D+00
               356           357           358           359           360 
      1   0.283930D+01  0.225714D+01  0.836250D+01 -0.284226D+01 -0.284906D+01
      2   0.334154D+02 -0.301668D+01  0.168537D+01 -0.869219D+01  0.372349D+01
      3  -0.362547D+02  0.759539D+00 -0.100479D+02  0.115344D+02 -0.874427D+00
      4  -0.633344D+02  0.150397D+01 -0.167588D+02  0.186439D+02 -0.845524D+01
      5   0.443351D+01 -0.752851D+01  0.558858D+01 -0.907034D+01  0.492386D+01
      6  -0.105434D+01  0.655257D+01 -0.353048D+01  0.836600D+01 -0.284373D+01
               361           362           363           364           365 
      1  -0.138098D+02 -0.738019D+01 -0.811661D+01 -0.647676D+01 -0.687678D+01
      2   0.873974D+01  0.390375D+01  0.424554D+01  0.100886D+01  0.943553D+01
      3   0.507010D+01  0.347643D+01  0.387107D+01  0.546791D+01 -0.255875D+01
      4   0.228747D+01  0.195511D+01 -0.129198D+01  0.965595D+01 -0.118318D+02
      5  -0.582077D-01 -0.270461D+01 -0.210374D+01  0.452984D+00 -0.485066D+01
      6   0.269224D+01  0.433234D+01  0.543808D+01  0.109569D+01  0.806942D+01
               366           367           368           369           370 
      1  -0.725364D+01 -0.145470D+02 -0.138347D+02 -0.161053D+02  0.687648D+02
      2   0.543365D+01  0.927757D+01  0.739304D+01  0.250419D+01 -0.401270D+02
      3   0.181999D+01  0.526944D+01  0.644165D+01  0.136011D+02 -0.286379D+02
      4  -0.513558D+01  0.157774D+01 -0.654162D+01 -0.862620D+01 -0.346046D+02
      5  -0.497164D+01  0.480931D+01 -0.968286D+01 -0.167889D+02 -0.496282D+02
      6   0.861043D+01  0.515738D+00  0.130671D+02  0.179570D+02  0.112957D+02
               371           372           373           374           375 
      1  -0.193711D+02 -0.294819D+02 -0.273541D+02  0.121922D+02  0.135374D+02
      2   0.104724D+02  0.210780D+02  0.146916D+02 -0.484639D+01 -0.897359D+01
      3   0.889875D+01  0.840387D+01  0.126626D+02 -0.734581D+01 -0.456385D+01
      4   0.202250D+02  0.203829D+02  0.281780D+02 -0.234021D+02 -0.194417D+02
      5   0.192632D+02  0.365767D+02  0.266521D+02 -0.187884D+02 -0.197915D+02
      6  -0.634306D+01 -0.790082D+01 -0.101804D+02  0.874948D+01  0.100306D+02
               376           377           378           379           380 
      1  -0.275672D+02  0.931156D+01  0.202634D+02 -0.168509D+02  0.541696D+01
      2   0.218457D+02 -0.685091D+01 -0.197623D+02  0.751218D+01  0.320200D+00
      3   0.572151D+01 -0.246065D+01 -0.501069D+00  0.933874D+01 -0.573716D+01
      4   0.199601D+02 -0.136529D+02 -0.174588D+02  0.520410D+01 -0.420637D+01
      5   0.413173D+02 -0.159846D+02 -0.392064D+02 -0.401845D+01  0.280589D+01
      6  -0.101039D+02  0.812046D+01  0.100454D+02 -0.248420D+01  0.864781D+00
               381           382           383           384           385 
      1  -0.802522D+01  0.157913D+02 -0.843734D+01  0.100251D+02 -0.123168D+02
      2   0.915976D+00 -0.791351D+01  0.179398D+01  0.453571D+00  0.595851D+01
      3   0.710924D+01 -0.787779D+01  0.664336D+01 -0.104787D+02  0.635825D+01
      4   0.382117D+01 -0.153416D+01  0.141541D+02 -0.992970D+01  0.365306D+01
      5  -0.171513D+01  0.186641D+01 -0.874706D+01  0.161848D+02  0.704042D+01
      6  -0.873776D+00  0.947957D+00 -0.657083D+01  0.547082D+01 -0.208775D+01
               386           387           388           389           390 
      1   0.795650D+01 -0.786886D+01  0.118825D+03  0.368724D+02 -0.122168D+02
      2   0.251528D+00 -0.769676D+01 -0.566050D+02 -0.157328D+02  0.613831D+01
      3  -0.820803D+01  0.155656D+02 -0.622204D+02 -0.211396D+02  0.607846D+01
      4  -0.888021D+01  0.749058D+01  0.453337D+02  0.272386D+02 -0.748797D+01
      5   0.748148D+01 -0.238212D+02 -0.138682D+02 -0.675369D+01  0.135045D+02
      6   0.593318D+01 -0.443165D+01 -0.452276D+01 -0.146471D+01  0.163719D+01
               391           392           393           394           395 
      1   0.610268D+02  0.309957D+02 -0.930283D+01 -0.307921D+02 -0.128677D+02
      2  -0.258364D+02 -0.105850D+02  0.418108D+01  0.151935D+02  0.612613D+01
      3  -0.351904D+02 -0.204107D+02  0.512175D+01  0.155986D+02  0.674153D+01
      4   0.431478D+02  0.307453D+02 -0.387216D+01 -0.161430D+02 -0.744886D+01
      5  -0.110006D+02 -0.341037D+01  0.675986D+01  0.218067D+02  0.623967D+01
      6  -0.284183D+01 -0.259574D+01  0.310987D+01  0.396478D+01  0.358370D+01
               396           397           398           399           400 
      1   0.153675D+02  0.485674D+02 -0.116529D+02  0.169292D+02 -0.338306D+02
      2  -0.848011D+01 -0.252978D+02  0.561835D+01 -0.100919D+02  0.164186D+02
      3  -0.688736D+01 -0.232696D+02  0.603452D+01 -0.683725D+01  0.174120D+02
      4   0.640261D+01 -0.159720D+02  0.147241D+02 -0.999588D+01  0.304122D+02
      5  -0.101358D+02  0.221264D+02 -0.102819D+02  0.151021D+02 -0.235032D+02
      6  -0.236954D+01 -0.460357D+01  0.251041D+01 -0.272303D+01  0.611330D+01
               401           402           403           404           405 
      1   0.196425D+02 -0.167349D+02  0.360805D+02 -0.138580D+02  0.174381D+02
      2  -0.779160D+01  0.875149D+01 -0.219805D+02  0.864526D+01 -0.139438D+02
      3  -0.118509D+02  0.798345D+01 -0.141000D+02  0.521272D+01 -0.349431D+01
      4  -0.286424D+02  0.158393D+02 -0.191191D+02  0.156018D+02 -0.158978D+02
      5   0.160308D+02 -0.223561D+02  0.296059D+02 -0.159498D+02  0.324729D+02
      6  -0.642350D+01  0.628194D+01 -0.576281D+01  0.572844D+01 -0.612971D+01
               406           407           408           409           410 
      1  -0.298825D+01  0.445162D+01 -0.437118D+01  0.181393D+02 -0.560230D+01
      2   0.338729D+01 -0.290780D+01  0.294688D+01 -0.409979D+01  0.209094D+02
      3  -0.399038D+00 -0.154382D+01  0.142430D+01 -0.140395D+02 -0.153071D+02
      4   0.399212D+01  0.356840D+01 -0.985809D+00  0.193488D+02  0.366615D+02
      5  -0.483450D+01  0.387307D+00  0.195600D+01  0.515418D+01 -0.284294D+01
      6  -0.358415D+01 -0.135267D+01  0.857301D+00  0.270852D+01  0.454633D+00
               411           412           413           414           415 
      1   0.534676D+01 -0.228985D+02  0.413083D+01 -0.134960D+01  0.235987D+02
      2  -0.599472D+01  0.894813D+01 -0.953876D+01  0.303857D+01 -0.163079D+02
      3   0.647956D+00  0.139503D+02  0.540793D+01 -0.168898D+01 -0.729085D+01
      4  -0.335894D+01 -0.334462D+01 -0.137964D+02  0.849495D+01  0.166067D+02
      5   0.826907D+01  0.373885D+01  0.902617D+01 -0.423603D+01  0.268179D+02
      6   0.538172D+01  0.135695D+01  0.374531D+01 -0.142521D+01  0.880781D+01
               416           417           418           419           420 
      1   0.630915D+01  0.124219D+02  0.819774D+01  0.299074D+01  0.284849D+01
      2  -0.341675D+01 -0.912204D+01 -0.270728D+01  0.395001D+00 -0.193928D+01
      3  -0.289240D+01 -0.329988D+01 -0.549046D+01 -0.338574D+01 -0.909210D+00
      4   0.134985D+02  0.144466D+02  0.195963D+02  0.216265D+02  0.162898D+02
      5   0.144820D+02  0.241908D+02  0.159434D+02  0.173299D+02  0.167019D+02
      6   0.586726D+01  0.722250D+01  0.927405D+01  0.107408D+02  0.124396D+02
               421           422           423 
      1   0.235559D+02  0.482721D+01  0.483284D+01
      2  -0.191671D+02 -0.607047D+01 -0.161250D+02
      3  -0.438881D+01  0.124327D+01  0.112921D+02
      4   0.251968D+02  0.214402D+02  0.279455D+02
      5   0.407141D+02  0.290374D+02  0.534537D+02
      6   0.161594D+02  0.166557D+02  0.216784D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.950659D-01      0.241634D+00      0.806003D+00
   y          0.197034D+01      0.500811D+01      0.167053D+02
   z         -0.755367D-01     -0.191995D+00     -0.640427D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319824D+03      0.473930D+02      0.527318D+02
   yx        -0.323463D+00     -0.479322D-01     -0.533318D-01
   yy         0.257041D+03      0.380896D+02      0.423804D+02
   zx        -0.375546D+01     -0.556502D+00     -0.619192D+00
   zy         0.433822D+00      0.642858D-01      0.715276D-01
   zz         0.238012D+03      0.352698D+02      0.392430D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.288534D+03      0.427563D+02      0.475728D+02
   aniso      0.804322D+02      0.119188D+02      0.132615D+02
   xx         0.340610D+03      0.504733D+02      0.561591D+02
   yx        -0.448959D+00     -0.665288D-01     -0.740233D-01
   yy         0.272445D+03      0.403723D+02      0.449202D+02
   zx        -0.480058D+01     -0.711373D+00     -0.791509D+00
   zy         0.458539D+00      0.679485D-01      0.756029D-01
   zz         0.252545D+03      0.374234D+02      0.416391D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          5.41920543          0.90835898          3.19530028
     6          3.74078579         -1.03669411          1.98366581
     6          4.38065971         -2.25963263         -0.31893783
     6          6.77308246         -1.73927931         -1.73944987
     6          8.17329933          0.57034417         -0.68809535
     6          8.12769727          0.63979571          2.20102261
     6          2.53265495         -4.11075818         -0.80319070
     6          0.78329738         -4.08801053          1.22683945
     6          1.53577898         -2.21097528          2.97414634
     6          0.23953907         -1.55915500          5.40792479
     6         -0.63500686          1.21208633          5.43950717
     6         -1.70791481          2.01801258          2.94033269
     6         -3.86739375          1.00430799          1.70474081
     6         -4.28339442          2.41491700         -0.54744591
     6         -2.32914466          4.20079718         -0.76613201
     6         -0.74125147          3.96209848          1.37690641
     6         -5.71378764         -0.92845470          2.66037504
     6         -7.68242985         -1.61134608          0.64633035
     6         -8.67358715          0.73488494         -0.72106909
     6         -6.56100973          2.06765096         -2.19150140
    40          0.03752060         -0.01533496         -0.99027286
    17          2.60891457          2.40357237         -3.93919295
    17         -2.47708491         -2.46733642         -3.96283989
     1         -0.85882950         -5.28297289          1.40166138
     1          2.44531199         -5.32058238         -2.43836654
     1          4.75064823          2.82445750          2.80245467
     1          5.37745528          0.68818837          5.24846278
     1          9.27839831          2.20481236          2.89657267
     1          8.95882441         -1.09948132          2.95302419
     1          7.28899046          2.28487760         -1.41830676
     1         10.11990659          0.55864854         -1.37047733
     1          7.97811404         -3.41424112         -1.56976824
     1          6.38760761         -1.48502172         -3.74834535
     1          1.50138726         -1.91381917          7.00687072
     1         -1.37392749         -2.81467591          5.65579642
     1          0.95949075          2.43837510          5.88571333
     1         -2.02854452          1.49482544          6.93964160
     1          0.91838644          5.08024463          1.76504671
     1         -2.06700660          5.50795506         -2.30469338
     1         -6.66836425         -0.14484888          4.32502885
     1         -4.75753308         -2.63640368          3.30904097
     1         -9.23827626         -2.63448697          1.53485247
     1         -6.82728082         -2.88156193         -0.73671584
     1        -10.19214772          0.21214545         -2.01535844
     1         -9.48764246          2.04131203          0.66281174
     1         -6.07448576          0.94739993         -3.85485407
     1         -7.19894619          3.90852960         -2.87222168

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.197408D+01      0.501761D+01      0.167370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319872D+03      0.474002D+02      0.527398D+02
   yx        -0.281400D+00     -0.416992D-01     -0.463966D-01
   yy         0.237897D+03      0.352526D+02      0.392238D+02
   zx         0.279180D+01      0.413702D+00      0.460305D+00
   zy        -0.111942D+01     -0.165881D+00     -0.184567D+00
   zz         0.257109D+03      0.380996D+02      0.423915D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.288534D+03      0.427563D+02      0.475728D+02
   aniso      0.804322D+02      0.119188D+02      0.132615D+02
   xx         0.340744D+03      0.504931D+02      0.561811D+02
   yx         0.451921D+00      0.669678D-01      0.745117D-01
   yy         0.252343D+03      0.373934D+02      0.416058D+02
   zx         0.296531D+01      0.439414D+00      0.488914D+00
   zy        -0.113552D+01     -0.168266D+00     -0.187222D+00
   zz         0.272514D+03      0.403824D+02      0.449315D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K14-04-02\Freq\RLC-PBEPBE\Gen\C20H24Cl2Zr1\PIERPA\18-Jul-
 2021\0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=
 120,Tight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/10
 7=0260000000,3/108=0260000000,3/119=1000000000,3/120=1000000000,3/130=
 -1,3/131=-1) Pseudo=Read\\ROA calculations.\\0,1\C,2.918209,1.527121,-
 0.682574\C,2.052734,0.968458,0.412061\C,2.364189,-0.241441,1.088305\C,
 3.57719,-1.064866,0.781263\C,4.282075,-0.590418,-0.495594\C,4.32979,0.
 935431,-0.589615\C,1.425242,-0.413216,2.122923\C,0.552885,0.70483,2.11
 4383\C,0.945006,1.572201,1.068423\C,0.305502,2.879578,0.7079\C,-0.2286
 59,2.866811,-0.734154\C,-0.880051,1.559894,-1.081878\C,-2.02472,0.9836
 3,-0.466414\C,-2.339028,-0.22168,-1.155258\C,-1.360182,-0.422752,-2.14
 3889\C,-0.461006,0.671681,-2.101673\C,-2.923964,1.573874,0.582126\C,-3
 .996477,0.575127,1.033762\C,-4.616608,-0.1654,-0.152513\C,-3.574096,-1
 .023204,-0.880509\Zr,-0.005023,-0.523739,0.027195\Cl,1.213296,-2.19518
 5,-1.256229\Cl,-1.343389,-1.98075,1.446553\H,-0.277937,0.863268,2.7838
 4\H,1.36946,-1.251612,2.797258\H,2.50459,1.300958,-1.669618\H,2.954314
 ,2.616832,-0.606795\H,4.913581,1.242678,-1.459626\H,4.833706,1.343637,
 0.292621\H,3.751294,-0.985239,-1.363847\H,5.292611,-1.002096,-0.525206
 \H,4.26195,-0.975336,1.631792\H,3.315779,-2.120544,0.697471\H,1.02176,
 3.697458,0.830692\H,-0.506727,3.07699,1.407133\H,0.592017,3.03705,-1.4
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 "I COULD HAVE DONE IT IN A MUCH MORE COMPLICATED WAY"
 SAID THE RED QUEEN, IMMENSELY PROUD.

                                      -- LEWIS CARROLL
 Job cpu time:      12 days 19 hours 22 minutes 32.3 seconds.
 Elapsed time:       1 days 14 hours 31 minutes  7.2 seconds.
 File lengths (MBytes):  RWF=   2201 Int=      0 D2E=      0 Chk=     53 Scr=      2
 Normal termination of Gaussian 16 at Sun Jul 18 09:45:16 2021.
